Chemical Properties of 2,3,4,5-Tetramethylbenzoic acid (CAS 2529-39-7)

2,3,4,5-Tetramethylbenzoic acid

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InChI
InChI=1S/C11H14O2/c1-6-5-10(11(12)13)9(4)8(3)7(6)2/h5H,1-4H3,(H,12,13)
InChI Key
JEBOPSGVIIUIQD-UHFFFAOYSA-N
Formula
C11H14O2
SMILES
Cc1cc(C(=O)O)c(C)c(C)c1C
Molecular Weight1
178.23
CAS
2529-39-7
Sources

Physical Properties

Property Value Unit Source
Δf -150.11 kJ/mol Joback Calculated Property
Δfgas -398.70 ± 2.30 kJ/mol NIST
Δfsolid -514.60 ± 2.20 kJ/mol NIST
Δfus 22.42 kJ/mol Joback Calculated Property
Δsub 115.90 ± 0.60 kJ/mol NIST
Δsub 115.90 kJ/mol NIST
Δsub 115.90 ± 0.60 kJ/mol NIST
Δvap 68.43 kJ/mol Joback Calculated Property
logPoct/wat 2.62 Crippen Calculated Property
Pc 2928.17 kPa Joback Calculated Property
Tboil 643.73 K Joback Calculated Property
Tc 844.89 K Joback Calculated Property
Tfus 400.98 K Joback Calculated Property
Vc 0.57 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 371.49 J/mol×K 643.73 Joback Calculated Property
Cp,solid 249.50 J/mol×K 298.15 NIST
η 0.00 Pa×s 643.73 Joback Calculated Property
ΔsubH 113.40 ± 0.60 kJ/mol 348.5 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 5
-OH (alcohol) 1
>C=O (nonring) 1
-CH3 4
=CH- (ring) 1

Similar Compounds

Pentamethylbenzoic acid. Benzoic acid, 2,4,5-trimethyl-. 2,3,6-Trimethylbenzoic acid. 2,3,5,6-Tetramethylbenzoic acid. Benzoic acid, 2,3-dimethyl-. Benzoic acid, 2,5-dimethyl-. Benzoic acid, 2,4,6-trimethyl-. 1,2-Benzenedicarboxylic acid, 4-methyl-. Benzoic acid, 2,4-dimethyl-. Benzenepentacarboxylic acid. BENZENEHEXACARBOXYLIC ACID. Benzoic acid, 3,4-dimethyl-. 1,2,4,5-Benzene-tetracarboxylic acid. 1,2,4-Benzenetricarboxylic acid. 2,3,5,6-(CH3)4-C6H-COOCH3.

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