Chemical Properties of Benzoic acid, 2,3-dimethyl- (CAS 603-79-2)

Benzoic acid, 2,3-dimethyl-

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InChI
InChI=1S/C9H10O2/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5H,1-2H3,(H,10,11)
InChI Key
RIZUCYSQUWMQLX-UHFFFAOYSA-N
Formula
C9H10O2
SMILES
Cc1cccc(C(=O)O)c1C
Molecular Weight1
150.17
CAS
603-79-2
Other Names
  • 2,3-Dimethylbenzoic acid
  • Hemellitic acid
Sources

Physical Properties

Property Value Unit Source
Δcsolid -4520.39 ± 0.79 kJ/mol NIST
Δf -147.69 kJ/mol Joback Calculated Property
Δfgas -345.80 ± 1.70 kJ/mol NIST
Δfgas -345.80 kJ/mol NIST
Δfsolid -450.40 ± 1.70 kJ/mol NIST
Δfsolid -450.41 ± 0.96 kJ/mol NIST
Δfus 18.02 kJ/mol Joback Calculated Property
Δsub 104.60 ± 0.40 kJ/mol NIST
Δsub 104.60 kJ/mol NIST
Δsub 104.60 ± 0.40 kJ/mol NIST
Δvap 62.65 kJ/mol Joback Calculated Property
logPoct/wat 2.00 Crippen Calculated Property
Pc 3782.33 kPa Joback Calculated Property
Tboil 588.01 K Joback Calculated Property
Tc 793.17 K Joback Calculated Property
Tfus 416.70 ± 2.00 K NIST
Vc 0.46 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 279.40 J/mol×K 588.01 Joback Calculated Property
Cp,solid 216.30 J/mol×K 299.65 NIST
η 0.00 Pa×s 588.01 Joback Calculated Property
ΔfusH 18.30 kJ/mol 417.6 NIST
ΔfusH 18.30 kJ/mol 417.6 NIST
ΔsubH 102.30 ± 0.40 kJ/mol 326.5 NIST

Molecular Descriptors

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

Similar Compounds

2,3,6-Trimethylbenzoic acid. 2,3,5,6-Tetramethylbenzoic acid. 2,3,4,5-Tetramethylbenzoic acid. Benzoic acid, 2,5-dimethyl-. Pentamethylbenzoic acid. Benzoic acid, 2,6-dimethyl-. 2,3-(CH3)2-C6H3-COOCH3. Benzoic acid, 2,4,5-trimethyl-. 1,2,3-Benzenetricarboxylic acid. Benzoic acid, 2-methyl-. Benzoic acid, 2,4,6-trimethyl-. 2,3,5,6-(CH3)4-C6H-COOCH3. 1,2-Benzenedicarboxylic acid, 4-methyl-. Benzoic acid, 2,4-dimethyl-. Benzoic acid, 3,5-dimethyl-.

Find more compounds similar to Benzoic acid, 2,3-dimethyl-.

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