Chemical Properties of Benzoic acid, 2,4-dimethyl- (CAS 611-01-8)

Benzoic acid, 2,4-dimethyl-

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InChI
InChI=1S/C9H10O2/c1-6-3-4-8(9(10)11)7(2)5-6/h3-5H,1-2H3,(H,10,11)
InChI Key
BKYWPNROPGQIFZ-UHFFFAOYSA-N
Formula
C9H10O2
SMILES
Cc1ccc(C(=O)O)c(C)c1
Molecular Weight1
150.17
CAS
611-01-8
Other Names
  • 2,4-Dimethylbenzoic acid
  • 4-Carboxy-1,3-dimethylbenzene
Sources

Physical Properties

Property Value Unit Source
Δcsolid -4512.32 ± 0.84 kJ/mol NIST
Δf -147.69 kJ/mol Joback Calculated Property
Δfgas -355.00 ± 1.70 kJ/mol NIST
Δfgas -355.00 kJ/mol NIST
Δfsolid -458.50 ± 1.70 kJ/mol NIST
Δfsolid -458.50 ± 1.00 kJ/mol NIST
Δfus 18.02 kJ/mol Joback Calculated Property
Δsub 103.50 ± 0.30 kJ/mol NIST
Δsub 103.50 kJ/mol NIST
Δsub 103.50 ± 0.30 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 540.20 K NIST
Tc 793.17 K Joback Calculated Property
Tfus 353.40 K Joback Calculated Property
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 192.20 J/mol×K 299.65 NIST
η 0.00 Pa×s 588.01 Joback Calculated Property
ΔsubH 102.70 ± 0.30 kJ/mol 321.5 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, 2,4,6-trimethyl-. Benzoic acid, 2,4,5-trimethyl-. Benzoic acid, 2-methyl-. Benzoic acid, 2,5-dimethyl-. Benzoic acid, 2,6-dimethyl-. 2,3,4,5-Tetramethylbenzoic acid. 2,4-(CH3)2-C6H3-COOCH3. Pentamethylbenzoic acid. 1,2-Benzenedicarboxylic acid, 4-methyl-. Benzoic acid, 2-formyl-. Benzoic acid, 3,4-dimethyl-. Benzoic acid, 2,4,6-trimethyl-, methyl ester. Ethyl 2,4-dimethylbenzoate. Ammonium acid o-phthalate. 1,2-Benzenedicarboxylic acid.

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