Chemical Properties of Benzoic acid, 3,4-dimethyl- (CAS 619-04-5)

Benzoic acid, 3,4-dimethyl-

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InChI
InChI=1S/C9H10O2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H,10,11)
InChI Key
OPVAJFQBSDUNQA-UHFFFAOYSA-N
Formula
C9H10O2
SMILES
Cc1ccc(C(=O)O)cc1C
Molecular Weight1
150.17
CAS
619-04-5
Other Names
  • 1-Carboxy-3,4-dimethylbenzene
  • 3,4-Dimethylbenzoic acid
Sources

Physical Properties

Property Value Unit Source
Δcsolid -4501.90 ± 0.50 kJ/mol NIST
Δcsolid -4502.00 ± 1.00 kJ/mol NIST
Δf -147.69 kJ/mol Joback Calculated Property
Δfgas -362.40 ± 1.70 kJ/mol NIST
Δfgas -362.40 kJ/mol NIST
Δfsolid -468.80 ± 1.90 kJ/mol NIST
Δfsolid -468.80 ± 1.30 kJ/mol NIST
Δfus 18.02 kJ/mol Joback Calculated Property
Δsub 106.40 ± 0.30 kJ/mol NIST
Δsub 106.40 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 437.00 ± 3.00 K NIST
Tfus 435.65 ± 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 199.70 J/mol×K 299.65 NIST
η 0.00 Pa×s 588.01 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Benzoic acid, 2,4,5-trimethyl-. 3,4-(CH3)3-C6H3-CO2CH3. Benzoic acid, 3,5-dimethyl-. methyl 3,4,5-trimethylbenzoate. Benzoic acid, 3-methyl-. Benzoic acid, 3,4-dimethyl-, ethyl ester. 2,3,4,5-Tetramethylbenzoic acid. Benzoic acid, 2,5-dimethyl-. Benzoic acid, 3-formyl-. 1,3,5-Benzenetricarboxylic acid. Pentamethylbenzoic acid. 1,2-Benzenedicarboxylic acid, 4-methyl-. Benzoic acid, 2,4-dimethyl-. 1,3-Benzenedicarboxylic acid. Ammonium acid m-phthalate.

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