Chemical Properties of 4-Fluorobenzoic acid, 3-methylbut-2-enyl ester

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

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InChI
InChI=1S/C12H13FO2/c1-9(2)7-8-15-12(14)10-3-5-11(13)6-4-10/h3-7H,8H2,1-2H3
InChI Key
AAPZRXZXZNILPP-UHFFFAOYSA-N
Formula
C12H13FO2
SMILES
CC(C)=CCOC(=O)c1ccc(F)cc1
Molecular Weight1
208.23
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
>C=O (nonring) 1
-CH3 2

Similar Compounds

4-Fluorobenzoic acid, pent-2-en-4-ynyl ester. 4-Fluorobenzoic acid, undec-2-enyl ester. Benzoic acid, 4-fluoro-, ethyl ester. 2-Buten-1-ol, 3-methyl-, benzoate. 4-Fluorobenzoic acid. oct-3-en-2-yl ester. 3-Fluorobenzoic acid, 3-methylbut-2-enyl ester. (E)-2-Butenyl benzoate. P-toluic acid, 3-methylbut-2-enyl ester. 4-F-C6H4-COOCH3. Pent-2-en-1-yl benzoate. 4-Fluorobenzoic acid, 3-methylbutyl ester. E-2-hexenyl benzoate. Benzoic acid, 2-propenyl ester. 4-Chlorobenzoic acid, 3-methylbut-2-enyl ester. 3-Fluorobenzoic acid, pent-2-en-4-ynyl ester.

Find more compounds similar to 4-Fluorobenzoic acid, 3-methylbut-2-enyl ester.

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