Quantitative Structure−Property Relationship (QSPR) Models for Boiling Points, Specific Gravities, and Refraction Indices of Hydrocarbons

Zhanyao Ha; Zbigniew Ring; Shijie Liu

doi:10.1021/ef049903u

Quantitative Structure−Property Relationship (QSPR) Models for Boiling Points, Specific Gravities, and Refraction Indices of Hydrocarbons

Energy & Fuels ◽

10.1021/ef049903u ◽

2005 ◽

Vol 19 (1) ◽

pp. 152-163 ◽

Cited By ~ 15

Author(s):

Zhanyao Ha ◽

Zbigniew Ring ◽

Shijie Liu

Keyword(s):

Quantitative Structure ◽

Structure Property ◽

Quantitative Structure Property Relationship ◽

Property Relationship ◽

Boiling Points ◽

Structure Property Relationship

Development of a Quantitative Structure−Property Relationship Model for Estimating Normal Boiling Points of Small Multifunctional Organic Molecules

Journal of Chemical Information and Computer Sciences ◽

10.1021/ci990311x ◽

2000 ◽

Vol 40 (1) ◽

pp. 81-90 ◽

Cited By ~ 19

Author(s):

David T. Stanton

Keyword(s):

Organic Molecules ◽

Quantitative Structure ◽

Structure Property ◽

Quantitative Structure Property Relationship ◽

Property Relationship ◽

Boiling Points ◽

Structure Property Relationship ◽

Relationship Model

Boiling Points of Halogenated Aliphatic Compounds: A Quantitative Structure−Property Relationship for Prediction and Validation [J. Chem. Inf. Comput. Sci. 44, 187−192 (2004)]

Journal of Chemical Information and Modeling ◽

10.1021/ci049617g ◽

2005 ◽

Vol 45 (2) ◽

pp. 534-534

Author(s):

T. Öberg

Keyword(s):

Quantitative Structure ◽

Structure Property ◽

Quantitative Structure Property Relationship ◽

Aliphatic Compounds ◽

Property Relationship ◽

Boiling Points ◽

Structure Property Relationship

ChemInform Abstract: Quantitative Structure-Property Relationship Study of Normal Boiling Points for Halogen-/ Oxygen-/ Sulfur-Containing Organic Compounds Using the CODESSA Program

ChemInform ◽

10.1002/chin.199845271 ◽

2010 ◽

Vol 29 (45) ◽

pp. no-no

Author(s):

O. IVANCIUC ◽

T. IVANCIUC ◽

A. T. BALABAN

Keyword(s):

Organic Compounds ◽

Quantitative Structure ◽

Structure Property ◽

Quantitative Structure Property Relationship ◽

Property Relationship ◽

Boiling Points ◽

Structure Property Relationship ◽

Relationship Study ◽

Sulfur Containing

Quantitative structure-property relationship: XIX. Boiling points of chloroaliphatic compounds

Russian Journal of General Chemistry ◽

10.1007/s11176-005-0145-x ◽

2004 ◽

Vol 74 (8) ◽

pp. 1243-1246

Author(s):

I. B. Golovanov ◽

S. M. Zhenodarova

Keyword(s):

Quantitative Structure ◽

Structure Property ◽

Quantitative Structure Property Relationship ◽

Property Relationship ◽

Boiling Points ◽

Structure Property Relationship

Novel mixture descriptors for the development of quantitative structure−property relationship models for the boiling points of binary azeotropic mixtures

Journal of Molecular Liquids ◽

10.1016/j.molliq.2019.111854 ◽

2019 ◽

Vol 296 ◽

pp. 111854

Author(s):

Zohreh Faramarzi ◽

Fatemeh Abbasitabar ◽

Vahid Zare-Shahabadi ◽

Hossein Jalali Jahromi

Keyword(s):

Quantitative Structure ◽

Structure Property ◽

Quantitative Structure Property Relationship ◽

Property Relationship ◽

Boiling Points ◽

Azeotropic Mixtures ◽

Structure Property Relationship

Quantitative structure–property relationship studies for estimating boiling points of alcohols using calculated molecular descriptors with radial basis function neural networks

Chemometrics and Intelligent Laboratory Systems ◽

10.1016/j.chemolab.2004.03.002 ◽

2004 ◽

Vol 72 (1) ◽

pp. 93-100 ◽

Cited By ~ 24

Author(s):

Qianfeng Li ◽

Xingguo Chen ◽

Zhide Hu

Keyword(s):

Neural Networks ◽

Radial Basis Function ◽

Basis Function ◽

Molecular Descriptors ◽

Quantitative Structure ◽

Structure Property ◽

Quantitative Structure Property Relationship ◽

Property Relationship ◽

Boiling Points ◽

Structure Property Relationship

Normal Boiling Points for Organic Compounds: Correlation and Prediction by a Quantitative Structure−Property Relationship

Journal of Chemical Information and Computer Sciences ◽

10.1021/ci970029v ◽

1998 ◽

Vol 38 (1) ◽

pp. 28-41 ◽

Cited By ~ 56

Author(s):

Alan R. Katritzky ◽

Victor S. Lobanov ◽

Mati Karelson

Keyword(s):

Organic Compounds ◽

Quantitative Structure ◽

Structure Property ◽

Quantitative Structure Property Relationship ◽

Property Relationship ◽

Boiling Points ◽

Structure Property Relationship

Quantitative Structure-Property Relationship: XXV. Boiling Points of Aliphatic Monohydric Alcohols. Reasons for the Different Boiling Points of Isomers and Their Compositionally Related Compounds

Russian Journal of General Chemistry ◽

10.1007/s11176-006-0012-4 ◽

2005 ◽

Vol 75 (12) ◽

pp. 1904-1909 ◽

Cited By ~ 2

Author(s):

I. B. Golovanov ◽

S. M. Zhenodarova

Keyword(s):

Quantitative Structure ◽

Structure Property ◽

Quantitative Structure Property Relationship ◽

Property Relationship ◽

Boiling Points ◽

Structure Property Relationship ◽

Monohydric Alcohols ◽

Related Compounds

Quantitative structure-property relationship study of normal boiling points for halogen-/ oxygen-/ sulfur-containing organic compounds using the CODESSA program

Tetrahedron ◽

10.1016/s0040-4020(98)00550-x ◽

1998 ◽

Vol 54 (31) ◽

pp. 9129-9142 ◽

Cited By ~ 41

Author(s):

Ovidiu Ivanciuc ◽

Teodora Ivanciuc ◽

Alexandru T. Balaban

Keyword(s):

Organic Compounds ◽

Quantitative Structure ◽

Structure Property ◽

Quantitative Structure Property Relationship ◽

Property Relationship ◽

Boiling Points ◽

Structure Property Relationship ◽

Relationship Study ◽

Sulfur Containing

ChemInform Abstract: Development of a Quantitative Structure-Property Relationship Model for Estimating Normal Boiling Points of Small Multifunctional Organic Molecules.

ChemInform ◽

10.1002/chin.200014219 ◽

2010 ◽

Vol 31 (14) ◽

pp. no-no

Author(s):

David T. Stanton

Keyword(s):

Organic Molecules ◽

Quantitative Structure ◽

Structure Property ◽

Quantitative Structure Property Relationship ◽

Property Relationship ◽

Boiling Points ◽

Structure Property Relationship ◽

Relationship Model