Chemical Properties of 4-Butylbenzoic acid, 2-methylpentyl ester

4-Butylbenzoic acid, 2-methylpentyl ester

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

InChI
InChI=1S/C17H26O2/c1-4-6-8-15-9-11-16(12-10-15)17(18)19-13-14(3)7-5-2/h9-12,14H,4-8,13H2,1-3H3
InChI Key
FAXLCUOSVAHYMS-UHFFFAOYSA-N
Formula
C17H26O2
SMILES
CCCCc1ccc(C(=O)OCC(C)CCC)cc1
Molecular Weight1
262.39
Sources

Physical Properties

Property Value Unit Source
Δf -41.32 kJ/mol Joback Calculated Property
Δfgas -419.23 kJ/mol Joback Calculated Property
Δfus 32.70 kJ/mol Joback Calculated Property
Δvap 65.14 kJ/mol Joback Calculated Property
logPoct/wat 4.62 Crippen Calculated Property
Pc 1625.91 kPa Joback Calculated Property
Tboil 695.87 K Joback Calculated Property
Tc 893.18 K Joback Calculated Property
Tfus 377.45 K Joback Calculated Property
Vc 0.90 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 655.09 J/mol×K 695.87 Joback Calculated Property
η 0.00 Pa×s 695.87 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 6
-CH3 3

Similar Compounds

4-Butylbenzoic acid, hexyl ester. 4-Butylbenzoic acid, pentyl ester. 4-Butylbenzoic acid, heptyl ester. 4-Butylbenzoic acid, octadecyl ester. 4-Butylbenzoic acid, undecyl ester. 4-Butylbenzoic acid, tridecyl ester. 4-Butylbenzoic acid, hexadecyl ester. 4-Butylbenzoic acid, tetradecyl ester. 4-Butylbenzoic acid, decyl ester. 4-Butylbenzoic acid, pentadecyl ester. 4-Butylbenzoic acid, nonyl ester. 4-Butylbenzoic acid, octyl ester. 4-Butylbenzoic acid, heptadecyl ester. 4-Butylbenzoic acid, 4-methoxy-2-methylbutyl ester. 4-Butylbenzoic acid, 8-chlorooctyl ester.

Find more compounds similar to 4-Butylbenzoic acid, 2-methylpentyl 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.