Estimating the physicochemical properties of polyhalogenated aromatic and aliphatic compounds using UPPER: part 2. Aqueous solubility, octanol solubility and octanol-water partition coefficient.

No abstract is available for this paper.

• Publication year

  2015

• Venue

  Chemosphere

• Publication date

  Unknown publication date

• Fields of study

  Medicine, Chemistry, Environmental Science

• Identifiers
  DOI 10.1016/j.chemosphere.2014.10.031PMID 25454206
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar, PubMed

• No claims are published for this paper.

• No concepts are published for this paper.

• Estimating the physicochemical properties of polyhalogenated aromatic and aliphatic compounds using UPPER: part 1. Boiling point and melting point.

  2015cited by this paper
• Unified physicochemical property estimation relationships (UPPER).

  2014cited by this paper
• Predicting the octanol solubility of organic compounds.

  2013cited by this paper
• Filling the gap: estimating physicochemical properties of the full array of polybrominated diphenyl ethers (PBDEs).

  2013cited by this paper
• QSPR models of n-octanol/water partition coefficients and aqueous solubility of halogenated methyl-phenyl ethers by DFT method.

  2012cited by this paper
• QSPR models for the physicochemical properties of halogenated methyl-phenyl ethers.

  2008cited by this paper
• Physicochemical properties of selected polybrominated diphenyl ethers and extension of the UNIFAC model to brominated aromatic compounds.

  2007cited by this paper
• QSPR/QSAR models for prediction of the physico-chemical properties and biological activity of polychlorinated diphenyl ethers (PCDEs).

  2007cited by this paper
• QSPR prediction of n-octanol/water partition coefficient for polychlorinated biphenyls.

  2007cited by this paper
• QSPR/QSAR models for prediction of the physicochemical properties and biological activity of polybrominated diphenyl ethers.

  2007cited by this paper
• Estimation of the aqueous solubility (-lgSw) of all polychlorinated dibenzo-furans (PCDF) and polychlorinated dibenzo-p-dioxins (PCDD) congeners by density functional theory

  2006cited by this paper
• Solubility prediction in octanol: A technical note

  2006cited by this paper
• QSPR models for polychlorinated biphenyls: n-Octanol/water partition coefficient.

  2006cited by this paper
• Compilation, evaluation, and selection of physical-chemical property data for organochlorine pesticides

  2005cited by this paper
• Water solubility and partitioning behavior of brominated phenols

  2004cited by this paper
• Compilation, Evaluation, and Selection of Physical-Chemical Property Data for α-, β-, and γ-Hexachlorocyclohexane

  2004cited by this paper
• Aqueous solubilities of non-ortho and mono-ortho PCBs at four temperatures.

  2002cited by this paper
• QSPR Studies on Vapor Pressure, Aqueous Solubility, and the Prediction of Water-Air Partition Coefficients

  1998cited by this paper
• Prediction of aqueous solubility coefficients of polychlorinated biphenyls by use of computer-calculated molecular properties

  1998cited by this paper
• A method for estimating both the solubility parameters and molar volumes of liquids

  1974cited by this paper
• The solubility of nonelectrolytes

  1964cited by this paper

• Characterization of a Pure Culture of Dehalogenimonas Dechlorinating 4-Hydroxy-chlorothalonil and Its Putative Reductive Dehalogenase Gene by a Multiomics Approach.

  2026cites this paper
• Phytobial remediation by bacteria and fungi

  2022cites this paper
• Estimation of octanol-water partition coefficients of PCBs based on the solvation free energy

  2021cites this paper
• Predictive deep learning models for environmental properties

  2021cites this paper
• Bioremediation and Biotechnology, Vol 3: Persistent and Recalcitrant Toxic Substances

  2020cites this paper
• Chemical Transformations of Synthetic Persistent Substances

  2020cites this paper
• Endophytic bacteria in xenobiotic degradation

  2020cites this paper
• Predictive deep learning models for environmental properties: the direct calculation of octanol–water partition coefficients from molecular graphs

  2019cites this paper
• Estimating n-octanol-water partition coefficients for neutral highly hydrophobic chemicals using measured n-butanol-water partition coefficients.

  2019cites this paper
• Application of an Iterative Fragment Selection (IFS) Method to Estimate Entropies of Fusion and Melting Points of Organic Chemicals

  2019cites this paper
• Plant-Bacterial Partnership: A Major Pollutants Remediation Approach

  2018cites this paper
• Bioaccumulation of Highly Hydrophobic Chemicals by Lumbriculus variegatus

  2018cites this paper
• Experimental Atom-by-Atom Dissection of Amide-Amide and Amide-Hydrocarbon Interactions in H2O.

  2017cites this paper
• Plant–bacteria partnerships for the remediation of persistent organic pollutants

  2017cites this paper
• Organic Micropollutants in the Environment: Ecotoxicity Potential and Methods for Remediation

  2017cites this paper
• Sphingomonads in Microbe-Assisted Phytoremediation: Tackling Soil Pollution.

  2017cites this paper
• Molecular perspectives and recent advances in microbial remediation of persistent organic pollutants

  2016cites this paper
• The Estimation of Biologically and Environmentally Relevant Properties of Organic Compounds

  2015cites this paper