Chemical Properties of Terephthalic acid, 2-chloropropyl hexyl ester

Terephthalic acid, 2-chloropropyl hexyl ester

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InChI
InChI=1S/C17H23ClO4/c1-3-4-5-6-11-21-16(19)14-7-9-15(10-8-14)17(20)22-12-13(2)18/h7-10,13H,3-6,11-12H2,1-2H3
InChI Key
JRNSUEZMONBKGI-UHFFFAOYSA-N
Formula
C17H23ClO4
SMILES
CCCCCCOC(=O)c1ccc(C(=O)OCC(C)Cl)cc1
Molecular Weight1
326.82
Sources

Physical Properties

Property Value Unit Source
Δf -287.17 kJ/mol Joback Calculated Property
Δfgas -679.77 kJ/mol Joback Calculated Property
Δfus 39.69 kJ/mol Joback Calculated Property
Δvap 78.68 kJ/mol Joback Calculated Property
logPoct/wat 4.21 Crippen Calculated Property
Pc 1637.78 kPa Joback Calculated Property
Tboil 809.59 K Joback Calculated Property
Tc 1016.62 K Joback Calculated Property
Tfus 479.53 K Joback Calculated Property
Vc 0.97 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 731.89 J/mol×K 809.59 Joback Calculated Property
η 0.00 Pa×s 809.59 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
-Cl 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 6
>C=O (nonring) 2
-CH3 2

Similar Compounds

Terephthalic acid, 2-chloropropyl heptyl ester. Terephthalic acid, 2-chloropropyl octyl ester. Terephthalic acid, 2-chloropropyl heptadecyl ester. Terephthalic acid, 2-chloropropyl tetradecyl ester. Terephthalic acid, 2-chloropropyl nonyl ester. Terephthalic acid, 2-chloropropyl pentadecyl ester. Terephthalic acid, 2-chloropropyl undecyl ester. Terephthalic acid, 2-chloropropyl decyl ester. Terephthalic acid, 2-chloropropyl hexadecyl ester. Terephthalic acid, 2-chloropropyl isohexyl ester. Terephthalic acid, butyl 2-chloropropyl ester. Terephthalic acid, 2,2-dichloroethyl hexyl ester. Terephthalic acid, 2-chloropropyl ethyl ester. Terephthalic acid, 2-chloropropyl propyl ester. Terephthalic acid, 2,2-dichloroethyl heptyl ester.

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