Chemical Properties of Benzoic acid, 3,3-dimethylbut-2-yl ester

Benzoic acid, 3,3-dimethylbut-2-yl ester

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InChI
InChI=1S/C13H18O2/c1-10(13(2,3)4)15-12(14)11-8-6-5-7-9-11/h5-10H,1-4H3
InChI Key
FDEANYZLSJVGGW-UHFFFAOYSA-N
Formula
C13H18O2
SMILES
CC(OC(=O)c1ccccc1)C(C)(C)C
Molecular Weight1
206.28
Sources

Physical Properties

Property Value Unit Source
Δf -62.53 kJ/mol Joback Calculated Property
Δfgas -333.95 kJ/mol Joback Calculated Property
Δfus 15.32 kJ/mol Joback Calculated Property
Δvap 54.28 kJ/mol Joback Calculated Property
logPoct/wat 3.28 Crippen Calculated Property
Pc 2351.92 kPa Joback Calculated Property
Tboil 596.14 K Joback Calculated Property
Tc 815.50 K Joback Calculated Property
Tfus 322.27 K Joback Calculated Property
Vc 0.66 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 446.87 J/mol×K 596.14 Joback Calculated Property
η 0.00 Pa×s 596.14 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 5
=C< (ring) 1
>C< 1
-CH3 4

Similar Compounds

Benzoic acid, 1,2-dimethylpropyl ester. Benzoic acid, 2,4-dimethylpent-3-yl ester. 4-Methylbenzoic acid, 3-methylbut-2-yl ester. Benzoic acid, 1-methylpropyl ester. Terephthalic acid, di(3-methylbut-2-yl) ester. Terephthalic acid, isobutyl 3-methylbut-2-yl ester. Terephthalic acid, 4,4-dimethylpent-2-yl isobutyl ester. Terephthalic acid, 4,4-dimethylpent-2-yl propyl ester. Terephthalic acid, di(4,4-dimethylpent-2-yl) ester. Terephthalic acid, 4,4-dimethylpent-2-yl ethyl ester. Benzoic acid, neopentyl ester. Terephthalic acid, butyl 4,4-dimethylpent-2-yl ester. Terephthalic acid, di(2-methylpent-3-yl) ester. Terephthalic acid, isobutyl 2-methylpent-3-yl ester. Terephthalic acid, ethyl 2-methylpent-3-yl ester.

Find more compounds similar to Benzoic acid, 3,3-dimethylbut-2-yl ester.

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