Chemical Properties of Pentamethylbenzoic acid (CAS 2243-32-5)

Pentamethylbenzoic acid

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InChI
InChI=1S/C12H16O2/c1-6-7(2)9(4)11(12(13)14)10(5)8(6)3/h1-5H3,(H,13,14)
InChI Key
MNLKGWIYXCKWBU-UHFFFAOYSA-N
Formula
C12H16O2
SMILES
Cc1c(C)c(C)c(C(=O)O)c(C)c1C
Molecular Weight1
192.25
CAS
2243-32-5
Other Names
  • Benzoic acid, pentamethyl-
Sources

Physical Properties

Property Value Unit Source
Δf -151.32 kJ/mol Joback Calculated Property
Δfgas -422.90 ± 2.90 kJ/mol NIST
Δfsolid -536.30 ± 2.30 kJ/mol NIST
Δfus 24.62 kJ/mol Joback Calculated Property
Δsub 113.40 ± 1.80 kJ/mol NIST
Δsub 113.40 kJ/mol NIST
Δsub 113.40 ± 1.80 kJ/mol NIST
Δvap 71.32 kJ/mol Joback Calculated Property
logPoct/wat 2.93 Crippen Calculated Property
Pc 2605.74 kPa Joback Calculated Property
Tboil 671.59 K Joback Calculated Property
Tc 871.10 K Joback Calculated Property
Tfus 424.77 K Joback Calculated Property
Vc 0.62 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 419.94 J/mol×K 671.59 Joback Calculated Property
Cp,solid 249.90 J/mol×K 298.15 NIST
η 0.00 Pa×s 671.59 Joback Calculated Property
ΔsubH 111.50 ± 1.70 kJ/mol 355.0 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 6
-OH (alcohol) 1
>C=O (nonring) 1
-CH3 5

Similar Compounds

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

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