Chemical Properties of Benzoic acid, 2,4-dimethylpent-3-yl ester

Benzoic acid, 2,4-dimethylpent-3-yl ester

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C14H20O2/c1-10(2)13(11(3)4)16-14(15)12-8-6-5-7-9-12/h5-11,13H,1-4H3
InChI Key
JFKMQMIUVLJEOK-UHFFFAOYSA-N
Formula
C14H20O2
SMILES
CC(C)C(OC(=O)c1ccccc1)C(C)C
Molecular Weight1
220.31
Sources

Physical Properties

Property Value Unit Source
Δf -61.83 kJ/mol Joback Calculated Property
Δfgas -356.40 kJ/mol Joback Calculated Property
Δfus 18.28 kJ/mol Joback Calculated Property
Δvap 57.03 kJ/mol Joback Calculated Property
logPoct/wat 3.52 Crippen Calculated Property
Pc 2141.36 kPa Joback Calculated Property
Tboil 621.37 K Joback Calculated Property
Tc 833.36 K Joback Calculated Property
Tfus 301.12 K Joback Calculated Property
Vc 0.72 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 495.39 J/mol×K 621.37 Joback Calculated Property
η 0.00 Pa×s 621.37 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 3
-O- (nonring) 1
-CH3 4
=CH- (ring) 5
=C< (ring) 1
>C=O (nonring) 1

Similar Compounds

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

Find more compounds similar to Benzoic acid, 2,4-dimethylpent-3-yl ester.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.