Chemical Properties of Benzoic acid, 2,4,5-trimethyl- (CAS 528-90-5)

Benzoic acid, 2,4,5-trimethyl-

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InChI
InChI=1S/C10H12O2/c1-6-4-8(3)9(10(11)12)5-7(6)2/h4-5H,1-3H3,(H,11,12)
InChI Key
QENJZWZWAWWESF-UHFFFAOYSA-N
Formula
C10H12O2
SMILES
Cc1cc(C)c(C(=O)O)cc1C
Molecular Weight1
164.20
CAS
528-90-5
Other Names
  • 2,4,5-Trimethylbenzoic acid
  • Durylic acid
Sources

Physical Properties

Property Value Unit Source
Δcsolid -5154.50 ± 1.30 kJ/mol NIST
Δf -148.90 kJ/mol Joback Calculated Property
Δfgas -386.20 ± 2.10 kJ/mol NIST
Δfsolid -495.80 ± 2.00 kJ/mol NIST
Δfus 20.22 kJ/mol Joback Calculated Property
Δsub 109.60 ± 0.50 kJ/mol NIST
Δsub 109.60 kJ/mol NIST
Δsub 109.60 ± 0.50 kJ/mol NIST
Δvap 65.54 kJ/mol Joback Calculated Property
logPoct/wat 2.31 Crippen Calculated Property
Pc 3314.37 kPa Joback Calculated Property
Tboil 615.87 K Joback Calculated Property
Tc 818.94 K Joback Calculated Property
Tfus 377.19 K Joback Calculated Property
Vc 0.51 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 324.63 J/mol×K 615.87 Joback Calculated Property
η 0.00 Pa×s 615.87 Joback Calculated Property
ΔsubH 108.30 ± 0.50 kJ/mol 335.0 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 4
-OH (alcohol) 1
>C=O (nonring) 1
-CH3 3
=CH- (ring) 2

Similar Compounds

Benzoic acid, 2,5-dimethyl-. 2,3,4,5-Tetramethylbenzoic acid. Pentamethylbenzoic acid. 1,2-Benzenedicarboxylic acid, 4-methyl-. Benzoic acid, 2,4-dimethyl-. Benzoic acid, 3,4-dimethyl-. 2,3,5,6-Tetramethylbenzoic acid. 2,3,6-Trimethylbenzoic acid. 1,2,4-Benzenetricarboxylic acid. 1,2,4,5-Benzene-tetracarboxylic acid. Benzoic acid, 2,4,6-trimethyl-. Benzoic acid, 2,3-dimethyl-. 1,3-Benzenedicarboxylic acid, 4-methyl-, dimethyl ester. Benzoic acid, 2,5-dimethyl-, methyl ester. Benzenepentacarboxylic acid.

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