Chemical Properties of Benzoic acid, 4-methylpent-2-yl ester

Benzoic acid, 4-methylpent-2-yl ester

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InChI
InChI=1S/C13H18O2/c1-10(2)9-11(3)15-13(14)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3
InChI Key
WMNCKJFVKMDUJQ-UHFFFAOYSA-N
Formula
C13H18O2
SMILES
CC(C)CC(C)OC(=O)c1ccccc1
Molecular Weight1
206.28
Sources

Physical Properties

Property Value Unit Source
Δf -67.81 kJ/mol Joback Calculated Property
Δfgas -330.48 kJ/mol Joback Calculated Property
Δfus 19.21 kJ/mol Joback Calculated Property
Δvap 55.19 kJ/mol Joback Calculated Property
logPoct/wat 3.28 Crippen Calculated Property
Pc 2327.03 kPa Joback Calculated Property
Tboil 598.93 K Joback Calculated Property
Tc 810.13 K Joback Calculated Property
Tfus 304.85 K Joback Calculated Property
Vc 0.67 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 444.11 J/mol×K 598.93 Joback Calculated Property
η 0.00 Pa×s 598.93 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 1
-CH3 3
=CH- (ring) 5
=C< (ring) 1
-CH2- 1
>C=O (nonring) 1

Similar Compounds

Benzoic acid, 4,4-dimethylpent-2-yl ester. Terephthalic acid, butyl 4-methylpent-2-yl ester. Terephthalic acid, ethyl 4-methylpent-2-yl ester. Terephthalic acid, 4-methylpent-2-yl propyl ester. Terephthalic acid, di(4-methylpent-2-yl) ester. Benzoic acid, hex-3-yl ester. Benzoic acid, hex-2-yl ester. Terephthalic acid, 4-methylpent-2-yl pentyl ester. Terephthalic acid, isobutyl 4-methylpent-2-yl ester. Terephthalic acid, di(4,4-dimethylpent-2-yl) ester. Terephthalic acid, butyl 4,4-dimethylpent-2-yl ester. Terephthalic acid, hexyl 4-methylpent-2-yl ester. Terephthalic acid, isohexyl 4-methylpent-2-yl ester. Benzoic acid, hept-2-yl ester. Terephthalic acid, heptyl 4-methylpent-2-yl ester.

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