Chemical Properties of 4-Butylbenzoic acid, 4-methoxyphenyl ester (CAS 35684-23-2)

4-Butylbenzoic acid, 4-methoxyphenyl ester

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InChI
InChI=1S/C18H20O3/c1-3-4-5-14-6-8-15(9-7-14)18(19)21-17-12-10-16(20-2)11-13-17/h6-13H,3-5H2,1-2H3
InChI Key
BISLKTRYMAGJLH-UHFFFAOYSA-N
Formula
C18H20O3
SMILES
CCCCc1ccc(C(=O)Oc2ccc(OC)cc2)cc1
Molecular Weight1
284.35
CAS
35684-23-2
Other Names
  • 4-Butylbenzoic acid, 4-methoxyphenyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -32.68 kJ/mol Joback Calculated Property
Δfgas -341.75 kJ/mol Joback Calculated Property
Δfus 33.65 kJ/mol Joback Calculated Property
Δvap 73.10 kJ/mol Joback Calculated Property
logPoct/wat 4.26 Crippen Calculated Property
Pc 1915.26 kPa Joback Calculated Property
Tboil 773.27 K Joback Calculated Property
Tc 997.10 K Joback Calculated Property
Tfus 464.89 K Joback Calculated Property
Vc 0.87 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 652.57 J/mol×K 773.27 Joback Calculated Property
η 0.00 Pa×s 773.27 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>C=O (nonring) 1
=CH- (ring) 8
=C< (ring) 4
-CH2- 3
-CH3 2

Similar Compounds

4-Butylbenzoic acid, 4-benzyloxyphenyl ester. 4-Ethylbenzoic acid, 4-benzyloxyphenyl ester. 4-Ethylbenzoic acid, 4-methoxyphenyl ester. 4-Butylbenzoic acid, 3-methylphenyl ester. 4-Butylbenzoic acid, 4-chlorophenyl ester. Benzoic acid, 4-butyl-, 4-cyanophenyl ester. 4-Butylbenzoic acid, 3,5-dimethylphenyl ester. P-toluic acid, 4-methoxyphenyl ester. p-Toluic acid, 4-benzyloxyphenyl ester. 4-Butylbenzoic acid, 2-naphthyl ester. 4-Butylbenzoic acid, 4-biphenyl ester. 4-Ethylbenzoic acid, 3-methylphenyl ester. 4-Ethylbenzoic acid, 4-chlorophenyl ester. Benzoic acid, 4-methyl-, phenyl ester. Diphenyl terephthalate.

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