Chemical Properties of Benzoic acid, 4-butyl-, methyl ester (CAS 20651-69-8)

Benzoic acid, 4-butyl-, methyl ester

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InChI
InChI=1S/C12H16O2/c1-3-4-5-10-6-8-11(9-7-10)12(13)14-2/h6-9H,3-5H2,1-2H3
InChI Key
XJRYQLPELPLPHZ-UHFFFAOYSA-N
Formula
C12H16O2
SMILES
CCCCc1ccc(C(=O)OC)cc1
Molecular Weight1
192.25
CAS
20651-69-8
Other Names
  • 4-Butylbenzoic acid, methyl ester
  • methyl 4-butylbenzoate
Sources

Physical Properties

Property Value Unit Source
Δf -80.98 kJ/mol Joback Calculated Property
Δfgas -310.75 kJ/mol Joback Calculated Property
Δfus 23.27 kJ/mol Joback Calculated Property
Δvap 54.40 kJ/mol Joback Calculated Property
logPoct/wat 2.82 Crippen Calculated Property
Pc 2480.12 kPa Joback Calculated Property
Tboil 581.91 K Joback Calculated Property
Tc 788.90 K Joback Calculated Property
Tfus 336.10 K Joback Calculated Property
Vc 0.62 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 393.77 J/mol×K 581.91 Joback Calculated Property
η 0.00 Pa×s 581.91 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

4-Butylbenzoic acid, ethyl ester. 4-Isobutylbenzoic acid, methyl. 4-Butylbenzoic acid. Benzoic acid, 4-ethyl-, methyl ester. Benzoic acid, 4-pentyl-. 4-Butylbenzoic acid, 3-chloroprop-2-enyl ester. 4-Butylbenzoic acid, 3-methylbut-2-enyl ester. 4-N-propylbenzoic acid. 4-Heptylbenzoic acid. 4-Ethylbenzoic acid, ethyl ester. Benzoic acid, 4-(1-methylethyl)-, methyl ester. 4-Butylbenzoic acid, pent-2-en-4-ynyl ester. 4-Butylbenzoic acid, pentyl ester. 4-Butylbenzoic acid, 3-methylbutyl ester. 4-Butylbenzoic acid, hexyl ester.

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