Chemical Properties of 2-(Isopropoxycarbonyl)benzoic acid (CAS 35118-50-4)

2-(Isopropoxycarbonyl)benzoic acid

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InChI
InChI=1S/C11H12O4/c1-7(2)15-11(14)9-6-4-3-5-8(9)10(12)13/h3-7H,1-2H3,(H,12,13)
InChI Key
CXJOEMLCEGZVPL-UHFFFAOYSA-N
Formula
C11H12O4
SMILES
CC(C)OC(=O)c1ccccc1C(=O)O
Molecular Weight1
208.21
CAS
35118-50-4
Sources

Physical Properties

Property Value Unit Source
Δf -357.58 kJ/mol Joback Calculated Property
Δfgas -560.20 kJ/mol Joback Calculated Property
Δfus 22.85 kJ/mol Joback Calculated Property
Δvap 75.21 kJ/mol Joback Calculated Property
logPoct/wat 1.95 Crippen Calculated Property
Pc 3269.04 kPa Joback Calculated Property
Tboil 704.64 K Joback Calculated Property
Tc 911.71 K Joback Calculated Property
Tfus 420.58 K Joback Calculated Property
Vc 0.59 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 412.11 J/mol×K 704.64 Joback Calculated Property
η 0.00 Pa×s 704.64 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

1,2-Benzenedicarboxylic acid, bis(1-methylethyl) ester. Isopropyl methyl phthalate. Phthalic acid, monoethyl ester. Diethyl phthalate. 1,2-Benzenedicarboxylic acid, ethyl methyl ester. Di-sec-butyl phthalate. 2-(Propoxycarbonyl)benzoic acid. 1,2-Benzenedicarboxylic acid, dipropyl ester. Methyl propyl phthalate. 2-(Allyloxycarbonyl)benzoic acid. Allyl methyl phthalate. Ethylallylphthalate. 1,2-Benzenedicarboxylic acid, di-2-propenyl ester. 2-((Prop-2-ynyloxy)carbonyl)benzoic acid. 2-((2-Methoxyethoxy)carbonyl)benzoic acid.

Find more compounds similar to 2-(Isopropoxycarbonyl)benzoic acid.

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