TY - JOUR
T1 - Prediction of critical properties of normal alkanes using Pakmakar-Ivan topological index
AU - Vakili-Nezhaad, Gholamreza
AU - Sabbaghian-Bidgoli, Hossein
PY - 2011/4/14
Y1 - 2011/4/14
N2 - For the first time Pakmakar-Ivan (PI) topological index has been applied for prediction of various critical properties of normal alkanes from methane to eicosane. A general fifth-order polynomial as a function of just a single variable of PI index has been proposed for this prediction. Predicted critical properties of normal alkanes based on this method were compared with the other well-known predictive methods as well as the experimental data, and excellent agreement was obtained.
AB - For the first time Pakmakar-Ivan (PI) topological index has been applied for prediction of various critical properties of normal alkanes from methane to eicosane. A general fifth-order polynomial as a function of just a single variable of PI index has been proposed for this prediction. Predicted critical properties of normal alkanes based on this method were compared with the other well-known predictive methods as well as the experimental data, and excellent agreement was obtained.
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U2 - 10.1021/je101025r
DO - 10.1021/je101025r
M3 - Article
AN - SCOPUS:79954587429
SN - 0021-9568
VL - 56
SP - 1042
EP - 1046
JO - Journal of Chemical and Engineering Data
JF - Journal of Chemical and Engineering Data
IS - 4
ER -