Chemical Properties of 4-Butylbenzoic acid, heptyl ester

4-Butylbenzoic acid, heptyl ester

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InChI
InChI=1S/C18H28O2/c1-3-5-7-8-9-15-20-18(19)17-13-11-16(12-14-17)10-6-4-2/h11-14H,3-10,15H2,1-2H3
InChI Key
NJLHIWNIWNPENN-UHFFFAOYSA-N
Formula
C18H28O2
SMILES
CCCCCCCOC(=O)c1ccc(CCCC)cc1
Molecular Weight1
276.41
Sources

Physical Properties

Property Value Unit Source
Δf -30.46 kJ/mol Joback Calculated Property
Δfgas -434.59 kJ/mol Joback Calculated Property
Δfus 38.81 kJ/mol Joback Calculated Property
Δvap 67.76 kJ/mol Joback Calculated Property
logPoct/wat 5.16 Crippen Calculated Property
Pc 1497.67 kPa Joback Calculated Property
Tboil 719.19 K Joback Calculated Property
Tc 912.00 K Joback Calculated Property
Tfus 403.72 K Joback Calculated Property
Vc 0.96 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 710.68 J/mol×K 719.19 Joback Calculated Property
η 0.00 Pa×s 719.19 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 2
=CH- (ring) 4
=C< (ring) 2
-CH2- 9
>C=O (nonring) 1

Similar Compounds

4-Butylbenzoic acid, nonyl ester. 4-Butylbenzoic acid, pentadecyl ester. 4-Butylbenzoic acid, tetradecyl ester. 4-Butylbenzoic acid, octyl ester. 4-Butylbenzoic acid, tridecyl ester. 4-Butylbenzoic acid, hexadecyl ester. 4-Butylbenzoic acid, octadecyl ester. 4-Butylbenzoic acid, heptadecyl ester. 4-Butylbenzoic acid, undecyl ester. 4-Butylbenzoic acid, decyl 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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