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Volumn 38, Issue 9, 1999, Pages 3581-3584

A combined group contribution and molecular geometry approach for predicting melting points of aliphatic compounds

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; COMPUTATIONAL METHODS; ENTHALPY; ENTROPY; ERROR ANALYSIS; ERROR CORRECTION; MATHEMATICAL MODELS; MOLECULAR STRUCTURE; ORGANIC COMPOUNDS; REGRESSION ANALYSIS;

EID: 0033200852     PISSN: 08885885     EISSN: None     Source Type: Journal    
DOI: 10.1021/ie990281n     Document Type: Article
Times cited : (66)

References (14)
  • 1
    • 0009740402 scopus 로고
    • Calculation of boiling points of aliphatic hydrocarbons
    • Kinney, C. R. Calculation of Boiling Points of Aliphatic Hydrocarbons. Ind. Eng. Chem. 1940, 32, 559.
    • (1940) Ind. Eng. Chem. , vol.32 , pp. 559
    • Kinney, C.R.1
  • 2
    • 84984086329 scopus 로고
    • The normal boiling points and critical constants of saturated aliphatic hydrocarbons
    • J
    • Stiel, L. I.; Thodos, G. The Normal Boiling Points and Critical Constants of Saturated Aliphatic Hydrocarbons. AIChE 1962, J. 8, 527.
    • (1962) AIChE , vol.8 , pp. 527
    • Stiel, L.I.1    Thodos, G.2
  • 3
    • 0009677850 scopus 로고
    • A relation between the molecular weight and melting points of organic compounds
    • Austin, J. B. A Relation between the Molecular Weight and Melting Points of Organic Compounds. J. Am. Chem. Soc. 1930, 52, 1049.
    • (1930) J. Am. Chem. Soc. , vol.52 , pp. 1049
    • Austin, J.B.1
  • 4
    • 0000106813 scopus 로고
    • Critical constants from parachor and molar refraction
    • Meissner, H. P. Critical Constants from Parachor and Molar Refraction. Chem. Eng. Prog. 1949, 45, 149.
    • (1949) Chem. Eng. Prog. , vol.45 , pp. 149
    • Meissner, H.P.1
  • 6
    • 38249032934 scopus 로고
    • QSAR approach to the prediction of melting points of substituted anilines
    • Dearden, J. C.; Rahman, M. H. QSAR Approach to the Prediction of Melting Points of Substituted Anilines. Math. Comput. Model. 1988, 11, 843.
    • (1988) Math. Comput. Model. , vol.11 , pp. 843
    • Dearden, J.C.1    Rahman, M.H.2
  • 7
    • 0025169150 scopus 로고
    • Melting point, boiling point, and symmetry
    • Abramowitz, R.; Yalkowsky, S. H. Melting Point, Boiling Point, and Symmetry. Pharm. Res. 1990, 7, 942.
    • (1990) Pharm. Res. , vol.7 , pp. 942
    • Abramowitz, R.1    Yalkowsky, S.H.2
  • 8
    • 84972939236 scopus 로고
    • Estimation of pure component properties from group contributions
    • Joback, K. G.; Reid, R. C. Estimation of Pure Component Properties from Group Contributions. Chem. Eng. Commun. 1987, 57, 233.
    • (1987) Chem. Eng. Commun. , vol.57 , pp. 233
    • Joback, K.G.1    Reid, R.C.2
  • 9
    • 0028427706 scopus 로고
    • Estimation of normal boiling points from group contributions
    • Stein, S.; Brown, R. L. J. Estimation of Normal Boiling Points from Group Contributions. Chem. Inf. Comput. Sci. 1994, 34, 581.
    • (1994) Chem. Inf. Comput. Sci. , vol.34 , pp. 581
    • Stein, S.1    Brown, R.L.J.2
  • 10
    • 33751158943 scopus 로고
    • Group contribution methods for predicting the melting point and boiling point of aromatic compounds
    • Simamora, P.; Yalkowsky, S. H. Group Contribution Methods for Predicting the Melting Point and Boiling Point of Aromatic Compounds. Ind. Eng. Chem. Res. 1994, 33, 1405.
    • (1994) Ind. Eng. Chem. Res. , vol.33 , pp. 1405
    • Simamora, P.1    Yalkowsky, S.H.2
  • 11
    • 0029341471 scopus 로고
    • Boiling point and melting point prediction for aliphatic, non-hydrogen bonding compounds
    • Krzyzaniak, J. F.; Myrdal, P. B.; Simamora, P.; Yalkowsky, S. H. Boiling Point and Melting Point Prediction for Aliphatic, Non-hydrogen Bonding Compounds. Ind. Eng. Chem. Res. 1995, 34, 2530.
    • (1995) Ind. Eng. Chem. Res. , vol.34 , pp. 2530
    • Krzyzaniak, J.F.1    Myrdal, P.B.2    Simamora, P.3    Yalkowsky, S.H.4
  • 12
    • 18144404059 scopus 로고    scopus 로고
    • Correlation of boiling points with molecular structure. 1. A training set of 298 diverse organics and a test set of 9 simple inorganics
    • Katritzky, A. R.; Mu, L.; Lobanov, V. S. Correlation of Boiling Points with Molecular Structure. 1. A Training Set of 298 Diverse Organics and A Test Set of 9 Simple Inorganics. J. Phys. Chem. 1996, 100, 10400.
    • (1996) J. Phys. Chem. , vol.100 , pp. 10400
    • Katritzky, A.R.1    Mu, L.2    Lobanov, V.S.3
  • 13
    • 0000602569 scopus 로고    scopus 로고
    • Estimation of entropy of melting from molecular structure: A nongroup contribution methodol
    • Dannenfelser, R.-M.; Yalkowsky, S. H. Estimation of Entropy of Melting from Molecular Structure: A Nongroup Contribution Methodol. Ind. Eng. Chem. Res. 1996, 35, 1483.
    • (1996) Ind. Eng. Chem. Res. , vol.35 , pp. 1483
    • Dannenfelser, R.-M.1    Yalkowsky, S.H.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.