Chemical Properties of 3-Fluorobenzoic acid, 3-methylbut-2-enyl ester (CAS 154559-38-3)

3-Fluorobenzoic acid, 3-methylbut-2-enyl ester

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InChI
InChI=1S/C12H13FO2/c1-9(2)6-7-15-12(14)10-4-3-5-11(13)8-10/h3-6,8H,7H2,1-2H3
InChI Key
FFMWJRQUVVMAAC-UHFFFAOYSA-N
Formula
C12H13FO2
SMILES
CC(C)=CCOC(=O)c1cccc(F)c1
Molecular Weight1
208.23
CAS
154559-38-3
Sources

Physical Properties

Property Value Unit Source
Δf -204.12 kJ/mol Joback Calculated Property
Δfgas -399.43 kJ/mol Joback Calculated Property
Δfus 25.25 kJ/mol Joback Calculated Property
Δvap 53.62 kJ/mol Joback Calculated Property
logPoct/wat 2.95 Crippen Calculated Property
Pc 2510.03 kPa Joback Calculated Property
Tboil 585.22 K Joback Calculated Property
Tc 794.67 K Joback Calculated Property
Tfus 317.65 K Joback Calculated Property
Vc 0.62 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 381.89 J/mol×K 585.22 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

3-Fluorobenzoic acid, pent-2-en-4-ynyl ester. 3-Fluorobenzoic acid, undec-2-enyl ester. Benzoic acid, 3-fluoro-, ethyl ester. 3-Fluorobenzoic acid, oct-3-en-2-yl ester. 3-Fluorobenzoic acid, methyl ester. 4-Fluorobenzoic acid, 3-methylbut-2-enyl ester. 3-Fluorobenzoic acid, 3-methylbutyl ester. 3,4-Difluorobenzoic acid, isopropyl ester. 2-Buten-1-ol, 3-methyl-, benzoate. 3-Fluorobenzoic acid, 8-chlorooctyl ester. 3-Fluorobenzoic acid, 3-methylbut-2-yl ester. 3-Fluorobenzoic acid, tridec-2-ynyl ester. 4-Fluorobenzoic acid, pent-2-en-4-ynyl ester. 3-Fluorobenzoic acid, 2-methylpentyl ester. 3-Fluorobenzoic acid, 4-methoxy-2-methylbutyl ester.

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