Chemical Properties of Pent-4-enyl 3-chlorobenzoate

Pent-4-enyl 3-chlorobenzoate

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InChI
InChI=1S/C12H13ClO2/c1-2-3-4-8-15-12(14)10-6-5-7-11(13)9-10/h2,5-7,9H,1,3-4,8H2
InChI Key
RDVBXOHTBOIYCP-UHFFFAOYSA-N
Formula
C12H13ClO2
SMILES
C=CCCCOC(=O)c1cccc(Cl)c1
Molecular Weight1
224.68
Other Names
  • Benzoic acid, 3-chloro, 4-pentenyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -5.07 kJ/mol Joback Calculated Property
Δfgas -201.06 kJ/mol Joback Calculated Property
Δfus 26.19 kJ/mol Joback Calculated Property
Δvap 58.12 kJ/mol Joback Calculated Property
logPoct/wat 3.46 Crippen Calculated Property
Pc 2492.52 kPa Joback Calculated Property
Tboil 616.02 K Joback Calculated Property
Tc 831.07 K Joback Calculated Property
Tfus 364.26 K Joback Calculated Property
Vc 0.65 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 400.01 J/mol×K 616.02 Joback Calculated Property
η 0.00 Pa×s 616.02 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Butyl 3-chlorobenzoate. (Z)-Dec-4-enyl 3-chlorobenzoate. Benzoic acid, 3-chloro, 3-methylbutyl ester. Benzoic acid, 3-chloro, pentyl ester. 1,5-Pentanediol, O,O'-bis(3-chlorobenzoyl)-. Benzoic acid, 3-chloro, hexyl ester. Benzoic acid, 3-chloro, propyl ester. Dodecyl 3-chlorobenzoate. Benzoic acid, 3-chloro, undecyl ester. Benzoic acid, 3-chloro, nonyl ester. Tetradecyl 3-chlorobenzoate. Benzoic acid, 3-chloro, decyl ester. 3-Methylbut-3-enyl 3-chlorobenzoate. 3-Chlorobenzoic acid, 2-methylbutyl ester. But-3-enyl 3-chlorobenzoate.

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