Chemical Properties of Benzoic acid, 2,4,6-trimethyl- (CAS 480-63-7)

Benzoic acid, 2,4,6-trimethyl-

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InChI
InChI=1S/C10H12O2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3,(H,11,12)
InChI Key
FFFIRKXTFQCCKJ-UHFFFAOYSA-N
Formula
C10H12O2
SMILES
Cc1cc(C)c(C(=O)O)c(C)c1
Molecular Weight1
164.20
CAS
480-63-7
Other Names
  • 2,4,6-Trimethylbenzoic acid
  • Mesitoic acid
  • «beta»-Isodurylic acid
Sources

Physical Properties

Property Value Unit Source
Δcsolid -5172.34 ± 0.92 kJ/mol NIST
Δf -148.90 kJ/mol Joback Calculated Property
Δfgas -374.20 ± 1.90 kJ/mol NIST
Δfsolid -477.80 ± 1.90 kJ/mol NIST
Δfus 20.22 kJ/mol Joback Calculated Property
Δsub 103.60 ± 0.30 kJ/mol NIST
Δsub 103.60 kJ/mol NIST
Δsub 103.60 ± 0.30 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 102.50 ± 0.30 kJ/mol 328.0 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, 2,4-dimethyl-. Benzoic acid, 2,6-dimethyl-. Pentamethylbenzoic acid. 2,3,4,5-Tetramethylbenzoic acid. Benzoic acid, 2,4,5-trimethyl-. Benzoic acid, 2,4,6-trimethyl-, methyl ester. 2,3,5,6-Tetramethylbenzoic acid. 2,3,6-Trimethylbenzoic acid. Benzoic acid, 2-methyl-. Benzoic acid, 2,5-dimethyl-. 2,4-(CH3)2-C6H3-COOCH3. Benzoic acid, 2,3-dimethyl-. Ethyl-2,4,6-trimethylbenzoate. 1,2-Benzenedicarboxylic acid, 4-methyl-. 2,6-(CH3)2-C6H3-COOCH3.

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