A combined quantitative property-property relationship (QPPR) for estimating packaging-food and solid material-water partition coefficients of organic compounds

The Science of The Total Environment ◽

10.1016/j.scitotenv.2018.12.062 ◽

2019 ◽

Vol 658 ◽

pp. 493-500 ◽

Author(s):

Lei Huang ◽

Olivier Jolliet

Keyword(s):

Organic Compounds ◽

Partition Coefficients ◽

Solid Material ◽

Property Relationship ◽

Quantitative Property

Download Full-text

A quantitative structure‐property relationship ( QSPR ) for estimating solid material‐air partition coefficients of organic compounds

10.1111/ina.12510 ◽

2018 ◽

Vol 29 (1) ◽

pp. 79-88 ◽

Author(s):

Lei Huang ◽

Olivier Jolliet

Keyword(s):

Organic Compounds ◽

Partition Coefficients ◽

Solid Material ◽

Quantitative Structure ◽

Structure Property ◽

Quantitative Structure Property Relationship ◽

Property Relationship ◽

Structure Property Relationship

Download Full-text

A quantitative property-property relationship (QPPR) approach to estimate in vitro tissue-blood partition coefficients of organic chemicals in rats and humans

Archives of Toxicology ◽

10.1007/s002040050463 ◽

1997 ◽

Vol 72 (1) ◽

pp. 17-25 ◽

Author(s):

Joost DeJongh ◽

Henk J. M. Verhaar ◽

Joop L. M. Hermens

Keyword(s):

Partition Coefficients ◽

Organic Chemicals ◽

Property Relationship ◽

Quantitative Property

Download Full-text

A quantitative property-property relationship for the internal diffusion coefficients of organic compounds in solid materials

10.1111/ina.12395 ◽

2017 ◽

Vol 27 (6) ◽

pp. 1128-1140 ◽

Author(s):

L. Huang ◽

P. Fantke ◽

A. Ernstoff ◽

O. Jolliet

Keyword(s):

Organic Compounds ◽

Diffusion Coefficients ◽

Internal Diffusion ◽

Solid Materials ◽

Property Relationship ◽

Quantitative Property

Download Full-text

Investigation of partition coefficients and fingerprints of atmospheric gas- and particle-phase intermediate volatility and semi-volatile organic compounds using pixel-based approaches

Journal of Chromatography A ◽

10.1016/j.chroma.2022.462808 ◽

2022 ◽

pp. 462808

Author(s):

Kai Song ◽

Yuanzheng Gong ◽

Song Guo ◽

Daqi Lv ◽

Hui Wang ◽

...

Keyword(s):

Volatile Organic Compounds ◽

Organic Compounds ◽

Partition Coefficients ◽

Particle Phase ◽

Volatile Organic

Download Full-text

Quantitative structure property relationship schemes for estimation of autoignition temperatures of organic compounds

Journal of Molecular Liquids ◽

10.1016/j.molliq.2019.111797 ◽

2020 ◽

Vol 300 ◽

pp. 111797 ◽

Author(s):

Amir Dashti ◽

Mojtaba Jokar ◽

Farid Amirkhani ◽

Amir H. Mohammadi

Keyword(s):

Organic Compounds ◽

Quantitative Structure ◽

Structure Property ◽

Quantitative Structure Property Relationship ◽

Property Relationship ◽

Structure Property Relationship

Download Full-text

Estimation of partition coefficients of organic compounds: local database modeling with uniform-length structure descriptors

Fresenius Journal of Analytical Chemistry ◽

10.1007/s002160050541 ◽

1997 ◽

Vol 359 (1) ◽

pp. 88-92 ◽

Author(s):

Martin Junghans ◽

E. Pretsch

Keyword(s):

Organic Compounds ◽

Partition Coefficients ◽

Database Modeling ◽

Download Full-text

Partition coefficients of selected environmentally important volatile organic compounds determined by gas–liquid chromatography with polydimethylsiloxane stationary phase

The Journal of Chemical Thermodynamics ◽

10.1016/j.jct.2004.07.020 ◽

2005 ◽

Vol 37 (1) ◽

pp. 21-29 ◽

Author(s):

Adam Kloskowski ◽

Wojciech Chrzanowski ◽

Michał Pilarczyk ◽

Jacek Namieśnik

Keyword(s):

Liquid Chromatography ◽

Volatile Organic Compounds ◽

Stationary Phase ◽

Organic Compounds ◽

Partition Coefficients ◽

Gas Liquid Chromatography ◽

Volatile Organic

Download Full-text

Quantitative structure–property relationship of distribution coefficients of organic compounds

SAR and QSAR in Environmental Research ◽

10.1080/1062936x.2020.1782468 ◽

2020 ◽

Vol 31 (8) ◽

pp. 585-596

Author(s):

Y. Liu ◽

X. Yu ◽

J. Chen

Keyword(s):

Organic Compounds ◽

Distribution Coefficients ◽

Quantitative Structure ◽

Structure Property ◽

Quantitative Structure Property Relationship ◽

Property Relationship ◽

Structure Property Relationship ◽

Relationship Of

Download Full-text

Estimating Octanol−Air Partition Coefficients of Nonpolar Semivolatile Organic Compounds from Gas Chromatographic Retention Times

Analytical Chemistry ◽

10.1021/ac0256033 ◽

2002 ◽

Vol 74 (14) ◽

pp. 3476-3483 ◽

Author(s):

Frank Wania ◽

Ying Duan Lei ◽

Tom Harner

Keyword(s):

Organic Compounds ◽

Partition Coefficients ◽

Chromatographic Retention ◽

Semivolatile Organic Compounds

Download Full-text

Equilibrium Partition Coefficients of Diverse Polar and Nonpolar Organic Compounds to Polyoxymethylene (POM) Passive Sampling Devices

Environmental Science & Technology ◽

10.1021/es202894k ◽

2011 ◽

Vol 45 (23) ◽

pp. 10124-10132 ◽

Author(s):

Satoshi Endo ◽

Sarah E. Hale ◽

Kai-Uwe Goss ◽

Hans Peter H. Arp

Keyword(s):

Organic Compounds ◽

Partition Coefficients ◽

Passive Sampling ◽

Equilibrium Partition ◽

Nonpolar Organic

Download Full-text