Chemical Properties of 4-Butylbenzoic acid, nonyl ester

4-Butylbenzoic acid, nonyl ester

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InChI
InChI=1S/C20H32O2/c1-3-5-7-8-9-10-11-17-22-20(21)19-15-13-18(14-16-19)12-6-4-2/h13-16H,3-12,17H2,1-2H3
InChI Key
XKLMVDBBEMBEFD-UHFFFAOYSA-N
Formula
C20H32O2
SMILES
CCCCCCCCCOC(=O)c1ccc(CCCC)cc1
Molecular Weight1
304.47
Sources

Physical Properties

Property Value Unit Source
Δf -13.62 kJ/mol Joback Calculated Property
Δfgas -475.87 kJ/mol Joback Calculated Property
Δfus 43.99 kJ/mol Joback Calculated Property
Δvap 72.21 kJ/mol Joback Calculated Property
logPoct/wat 5.94 Crippen Calculated Property
Pc 1297.66 kPa Joback Calculated Property
Tboil 764.95 K Joback Calculated Property
Tc 956.36 K Joback Calculated Property
Tfus 426.26 K Joback Calculated Property
Vc 1.07 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 826.03 J/mol×K 764.95 Joback Calculated Property
η 0.00 Pa×s 764.95 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 11
-CH3 2

Similar Compounds

4-Butylbenzoic acid, octyl ester. 4-Butylbenzoic acid, tridecyl ester. 4-Butylbenzoic acid, octadecyl ester. 4-Butylbenzoic acid, hexadecyl ester. 4-Butylbenzoic acid, decyl ester. 4-Butylbenzoic acid, pentadecyl ester. 4-Butylbenzoic acid, tetradecyl ester. 4-Butylbenzoic acid, heptadecyl ester. 4-Butylbenzoic acid, undecyl ester. 4-Butylbenzoic acid, heptyl ester. 4-Butylbenzoic acid, hexyl ester. 4-Butylbenzoic acid, pentyl ester. 4-Butylbenzoic acid, 8-chlorooctyl ester. 4-Butylbenzoic acid, dodec-9-ynyl ester. 4-Butylbenzoic acid, 2-methylpentyl ester.

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