Chemical Properties of 4-Butylbenzoic acid, 3-chloroprop-2-enyl ester

4-Butylbenzoic acid, 3-chloroprop-2-enyl ester

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InChI
InChI=1S/C14H17ClO2/c1-2-3-5-12-6-8-13(9-7-12)14(16)17-11-4-10-15/h4,6-10H,2-3,5,11H2,1H3/b10-4+
InChI Key
FDTZLBPFIUPWST-ONNFQVAWSA-N
Formula
C14H17ClO2
SMILES
CCCCc1ccc(C(=O)OCC=CCl)cc1
Molecular Weight1
252.74
Sources

Physical Properties

Property Value Unit Source
Δf 4.15 kJ/mol Joback Calculated Property
Δfgas -250.55 kJ/mol Joback Calculated Property
Δfus 32.85 kJ/mol Joback Calculated Property
Δvap 63.20 kJ/mol Joback Calculated Property
logPoct/wat 3.94 Crippen Calculated Property
Pc 2094.58 kPa Joback Calculated Property
Tboil 669.26 K Joback Calculated Property
Tc 881.69 K Joback Calculated Property
Tfus 383.48 K Joback Calculated Property
Vc 0.76 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 500.61 J/mol×K 669.26 Joback Calculated Property
η 0.00 Pa×s 669.26 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

4-Butylbenzoic acid, ethyl ester. 4-Butylbenzoic acid, 3-methylbut-2-enyl ester. 4-Ethylbenzoic acid, 3-chloroprop-2-enyl ester. 4-Butylbenzoic acid, pent-2-en-4-ynyl ester. Benzoic acid, 4-butyl-, methyl ester. 4-Butylbenzoic acid, undec-2-enyl ester. 4-Ethylbenzoic acid, 3-methylbut-2-enyl ester. 4-Ethylbenzoic acid, ethyl ester. p-Toluic acid, 3-chloroprop-2-enyl ester. 4-Ethylbenzoic acid, pent-2-en-4-ynyl ester. 4-Butylbenzoic acid, pentyl ester. 4-Butylbenzoic acid, 2,2,2-trichloroethyl ester. 4-Butylbenzoic acid, but-3-yn-2-yl ester. 4-Butylbenzoic acid, 3-methylbutyl ester. 4-Isobutylbenzoic acid, methyl.

Find more compounds similar to 4-Butylbenzoic acid, 3-chloroprop-2-enyl ester.

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