Chemical Properties of Benzoic acid, 2,5-dimethyl- (CAS 610-72-0)

Benzoic acid, 2,5-dimethyl-

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InChI
InChI=1S/C9H10O2/c1-6-3-4-7(2)8(5-6)9(10)11/h3-5H,1-2H3,(H,10,11)
InChI Key
XZRHNAFEYMSXRG-UHFFFAOYSA-N
Formula
C9H10O2
SMILES
Cc1ccc(C)c(C(=O)O)c1
Molecular Weight1
150.17
CAS
610-72-0
Other Names
  • 2,5-Dimethylbenzoic acid
  • 2-Carboxy-1,4-dimethylbenzene
  • Isoxylic acid
Sources

Physical Properties

Property Value Unit Source
Δcsolid -4514.66 ± 0.79 kJ/mol NIST
Δf -147.69 kJ/mol Joback Calculated Property
Δfgas -351.10 ± 1.70 kJ/mol NIST
Δfgas -351.10 kJ/mol NIST
Δfsolid -456.10 ± 1.60 kJ/mol NIST
Δfsolid -456.14 ± 0.96 kJ/mol NIST
Δfus 18.02 kJ/mol Joback Calculated Property
Δsub 105.00 ± 0.60 kJ/mol NIST
Δsub 105.00 kJ/mol NIST
Δsub 105.00 ± 0.60 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 541.20 K NIST
Tc 793.17 K Joback Calculated Property
Tfus 405.00 ± 3.00 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 202.70 J/mol×K 299.65 NIST
η 0.00 Pa×s 588.01 Joback Calculated Property
ΔsubH 103.60 ± 0.60 kJ/mol 324.5 NIST

Molecular Descriptors

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

Similar Compounds

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

Find more compounds similar to Benzoic acid, 2,5-dimethyl-.

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