{"id":"https://openalex.org/W1972718530","doi":"https://doi.org/10.1021/ci060047p","title":"Gas to Olive Oil Partition Coefficients:\u2009 A Linear Free Energy Analysis","display_name":"Gas to Olive Oil Partition Coefficients:\u2009 A Linear Free Energy Analysis","publication_year":2006,"publication_date":"2006-05-16","ids":{"openalex":"https://openalex.org/W1972718530","doi":"https://doi.org/10.1021/ci060047p","mag":"1972718530","pmid":"https://pubmed.ncbi.nlm.nih.gov/16859305"},"language":"en","primary_location":{"id":"doi:10.1021/ci060047p","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci060047p","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5012093239","display_name":"Michael H. Abraham","orcid":null},"institutions":[{"id":"https://openalex.org/I45129253","display_name":"University College London","ror":"https://ror.org/02jx3x895","country_code":"GB","type":"education","lineage":["https://openalex.org/I124357947","https://openalex.org/I45129253"]}],"countries":["GB"],"is_corresponding":true,"raw_author_name":"Michael H. Abraham","raw_affiliation_strings":["Department of Chemistry, University College London, 20 Gower Street, London WC1H OAJ, U.K"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University College London, 20 Gower Street, London WC1H OAJ, U.K","institution_ids":["https://openalex.org/I45129253"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5113231932","display_name":"Adam Ibrahim","orcid":"https://orcid.org/0009-0000-2833-4940"},"institutions":[{"id":"https://openalex.org/I45129253","display_name":"University College London","ror":"https://ror.org/02jx3x895","country_code":"GB","type":"education","lineage":["https://openalex.org/I124357947","https://openalex.org/I45129253"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Adam Ibrahim","raw_affiliation_strings":["Department of Chemistry, University College London, 20 Gower Street, London WC1H OAJ, U.K"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University College London, 20 Gower Street, London WC1H OAJ, U.K","institution_ids":["https://openalex.org/I45129253"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5012093239"],"corresponding_institution_ids":["https://openalex.org/I45129253"],"apc_list":null,"apc_paid":null,"fwci":2.7096,"has_fulltext":false,"cited_by_count":37,"citation_normalized_percentile":{"value":0.89036257,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":98},"biblio":{"volume":"46","issue":"4","first_page":"1735","last_page":"1741"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10908","display_name":"Analytical Chemistry and Chromatography","score":0.9991999864578247,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10908","display_name":"Analytical Chemistry and Chromatography","score":0.9991999864578247,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10962","display_name":"Thermodynamic properties of mixtures","score":0.9937999844551086,"subfield":{"id":"https://openalex.org/subfields/1507","display_name":"Fluid Flow and Transfer Processes"},"field":{"id":"https://openalex.org/fields/15","display_name":"Chemical Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T12748","display_name":"Molecular spectroscopy and chirality","score":0.9883000254631042,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/partition-coefficient","display_name":"Partition coefficient","score":0.704840898513794},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.652975857257843},{"id":"https://openalex.org/keywords/standard-deviation","display_name":"Standard deviation","score":0.5549818873405457},{"id":"https://openalex.org/keywords/free-energy-relationship","display_name":"Free-energy relationship","score":0.5535328388214111},{"id":"https://openalex.org/keywords/partition","display_name":"Partition (number theory)","score":0.49901676177978516},{"id":"https://openalex.org/keywords/acetone","display_name":"Acetone","score":0.4858819842338562},{"id":"https://openalex.org/keywords/olive-oil","display_name":"Olive oil","score":0.47966909408569336},{"id":"https://openalex.org/keywords/hydrogen","display_name":"Hydrogen","score":0.4792337715625763},{"id":"https://openalex.org/keywords/absolute-deviation","display_name":"Absolute deviation","score":0.4658990800380707},{"id":"https://openalex.org/keywords/gas-chromatography","display_name":"Gas chromatography","score":0.4365873336791992},{"id":"https://openalex.org/keywords/hydrogen-bond","display_name":"Hydrogen bond","score":0.43369895219802856},{"id":"https://openalex.org/keywords/gibbs-free-energy","display_name":"Gibbs free energy","score":0.4323596954345703},{"id":"https://openalex.org/keywords/solvent","display_name":"Solvent","score":0.4266134202480316},{"id":"https://openalex.org/keywords/thermodynamics","display_name":"Thermodynamics","score":0.4174855351448059},{"id":"https://openalex.org/keywords/standard-error","display_name":"Standard error","score":0.4147701561450958},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.380038321018219},{"id":"https://openalex.org/keywords/analytical-chemistry","display_name":"Analytical Chemistry (journal)","score":0.3742572069168091},{"id":"https://openalex.org/keywords/chromatography","display_name":"Chromatography","score":0.33977606892585754},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.2836025357246399},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.24978718161582947},{"id":"https://openalex.org/keywords/statistics","display_name":"Statistics","score":0.193832129240036},{"id":"https://openalex.org/keywords/combinatorics","display_name":"Combinatorics","score":0.11411231756210327},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.11122357845306396},{"id":"https://openalex.org/keywords/kinetics","display_name":"Kinetics","score":0.10871702432632446},{"id":"https://openalex.org/keywords/reaction-rate-constant","display_name":"Reaction rate constant","score":0.1024315357208252}],"concepts":[{"id":"https://openalex.org/C192552737","wikidata":"https://www.wikidata.org/wiki/Q898797","display_name":"Partition coefficient","level":2,"score":0.704840898513794},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.652975857257843},{"id":"https://openalex.org/C22679943","wikidata":"https://www.wikidata.org/wiki/Q159375","display_name":"Standard deviation","level":2,"score":0.5549818873405457},{"id":"https://openalex.org/C128122844","wikidata":"https://www.wikidata.org/wiki/Q4119007","display_name":"Free-energy relationship","level":4,"score":0.5535328388214111},{"id":"https://openalex.org/C42812","wikidata":"https://www.wikidata.org/wiki/Q1082910","display_name":"Partition (number theory)","level":2,"score":0.49901676177978516},{"id":"https://openalex.org/C2781213060","wikidata":"https://www.wikidata.org/wiki/Q49546","display_name":"Acetone","level":2,"score":0.4858819842338562},{"id":"https://openalex.org/C2988377048","wikidata":"https://www.wikidata.org/wiki/Q93165","display_name":"Olive oil","level":2,"score":0.47966909408569336},{"id":"https://openalex.org/C512968161","wikidata":"https://www.wikidata.org/wiki/Q556","display_name":"Hydrogen","level":2,"score":0.4792337715625763},{"id":"https://openalex.org/C120934525","wikidata":"https://www.wikidata.org/wiki/Q849149","display_name":"Absolute deviation","level":2,"score":0.4658990800380707},{"id":"https://openalex.org/C123460561","wikidata":"https://www.wikidata.org/wiki/Q677065","display_name":"Gas chromatography","level":2,"score":0.4365873336791992},{"id":"https://openalex.org/C112887158","wikidata":"https://www.wikidata.org/wiki/Q169324","display_name":"Hydrogen bond","level":3,"score":0.43369895219802856},{"id":"https://openalex.org/C146477669","wikidata":"https://www.wikidata.org/wiki/Q334631","display_name":"Gibbs free energy","level":2,"score":0.4323596954345703},{"id":"https://openalex.org/C2780471494","wikidata":"https://www.wikidata.org/wiki/Q146505","display_name":"Solvent","level":2,"score":0.4266134202480316},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.4174855351448059},{"id":"https://openalex.org/C18747219","wikidata":"https://www.wikidata.org/wiki/Q620994","display_name":"Standard error","level":2,"score":0.4147701561450958},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.380038321018219},{"id":"https://openalex.org/C113196181","wikidata":"https://www.wikidata.org/wiki/Q485223","display_name":"Analytical Chemistry (journal)","level":2,"score":0.3742572069168091},{"id":"https://openalex.org/C43617362","wikidata":"https://www.wikidata.org/wiki/Q170050","display_name":"Chromatography","level":1,"score":0.33977606892585754},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.2836025357246399},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.24978718161582947},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.193832129240036},{"id":"https://openalex.org/C114614502","wikidata":"https://www.wikidata.org/wiki/Q76592","display_name":"Combinatorics","level":1,"score":0.11411231756210327},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.11122357845306396},{"id":"https://openalex.org/C148898269","wikidata":"https://www.wikidata.org/wiki/Q1108792","display_name":"Kinetics","level":2,"score":0.10871702432632446},{"id":"https://openalex.org/C93391505","wikidata":"https://www.wikidata.org/wiki/Q658700","display_name":"Reaction rate constant","level":3,"score":0.1024315357208252},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0},{"id":"https://openalex.org/C31903555","wikidata":"https://www.wikidata.org/wiki/Q1637030","display_name":"Food science","level":1,"score":0.0}],"mesh":[],"locations_count":3,"locations":[{"id":"doi:10.1021/ci060047p","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci060047p","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:16859305","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/16859305","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of chemical information and modeling","raw_type":null},{"id":"pmh:oai:eprints.ucl.ac.uk.OAI2:40663","is_oa":false,"landing_page_url":"http://discovery.ucl.ac.uk/40663/","pdf_url":null,"source":{"id":"https://openalex.org/S4306400024","display_name":"UCL Discovery (University College London)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I45129253","host_organization_name":"University College London","host_organization_lineage":["https://openalex.org/I45129253"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"   JOURNAL OF CHEMICAL INFORMATION AND MODELING , 46  (4)   pp. 1735-1741.   (2006)      ","raw_type":"Article"}],"best_oa_location":null,"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/7","display_name":"Affordable and clean energy","score":0.8600000143051147}],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":8,"referenced_works":["https://openalex.org/W2005020926","https://openalex.org/W2044374379","https://openalex.org/W2055360296","https://openalex.org/W2059329439","https://openalex.org/W2112104174","https://openalex.org/W2142538954","https://openalex.org/W2163763334","https://openalex.org/W2328037709"],"related_works":["https://openalex.org/W2040348432","https://openalex.org/W4388129954","https://openalex.org/W1968604316","https://openalex.org/W4386714363","https://openalex.org/W2052990885","https://openalex.org/W2088573039","https://openalex.org/W2135772335","https://openalex.org/W2981674887","https://openalex.org/W2040766742","https://openalex.org/W1981052394"],"abstract_inverted_index":{"Literature":[0],"values":[1],"of":[2,20,37,69,75,81,165],"gas":[3,129,150,166,171],"to":[4,59,131,151,167,172],"olive":[5,95,145,168],"oil":[6,96,169],"partition":[7,126,154],"coefficients":[8,124],"at":[9],"37":[10],"degrees":[11],"C":[12],"have":[13],"been":[14],"assembled":[15],"for":[16,125,142],"218":[17],"compounds.":[18],"Application":[19],"an":[21,66,71,159],"Abraham":[22],"linear":[23,86],"free":[24,87],"energy":[25,88],"equation":[26,56,89],"correlates":[27],"215":[28],"compounds":[29,45,64],"with":[30,65,106],"R2=0.981":[31],"and":[32,43,53,77,117,137,144,170],"a":[33,50,78,93,107,163],"standard":[34,79],"deviation,":[35],"SD,":[36],"0.196":[38],"log":[39,83],"units.":[40,84],"One":[41],"hundred":[42],"eight":[44],"were":[46],"then":[47],"used":[48,58],"as":[49,92,135],"training":[51],"set,":[52],"the":[54,61,128],"resulting":[55],"was":[57],"predict":[60],"remaining":[62],"107":[63],"average":[67,73],"error":[68,74],"0.025,":[70],"absolute":[72],"0.150,":[76],"deviation":[80],"0.224":[82],"The":[85,123],"shows":[90],"that":[91],"solvent":[94],"is":[97,102],"not":[98],"very":[99],"polar":[100],"but":[101],"reasonably":[103],"basic,":[104],"although":[105],"weaker":[108],"hydrogen":[109,120],"bond":[110,121],"base":[111],"than":[112],"ethyl":[113],"acetate":[114],"or":[115],"acetone,":[116],"has":[118],"no":[119],"acidity.":[122],"from":[127],"phase":[130,153],"biological":[132,152],"phases":[133],"such":[134],"blood":[136],"brain":[138],"lie":[139],"between":[140],"those":[141],"water":[143],"oil,":[146],"which":[147],"explains":[148],"why":[149],"can":[155],"be":[156],"described":[157],"in":[158],"empirical":[160],"way":[161],"by":[162],"combination":[164],"saline":[173],"coefficients.":[174]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2024,"cited_by_count":2},{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":2},{"year":2019,"cited_by_count":1},{"year":2017,"cited_by_count":1},{"year":2016,"cited_by_count":1},{"year":2014,"cited_by_count":4},{"year":2013,"cited_by_count":2},{"year":2012,"cited_by_count":3}],"updated_date":"2026-06-15T08:34:33.830935","created_date":"2025-10-10T00:00:00"}
