Chemical Properties of Benzoic acid, 2-methyl- (CAS 118-90-1)

Benzoic acid, 2-methyl-

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InChI
InChI=1S/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10)
InChI Key
ZWLPBLYKEWSWPD-UHFFFAOYSA-N
Formula
C8H8O2
SMILES
Cc1ccccc1C(=O)O
Molecular Weight1
136.15
CAS
118-90-1
Other Names
  • 2-Methylbenzoic acid
  • Orthotoluic acid
  • o-Methylbenzoic acid
  • o-Toluic acid
  • o-Toluylic acid
Sources

Physical Properties

Property Value Unit Source
PAff 838.80 kJ/mol NIST
BasG 807.80 kJ/mol NIST
Δcsolid [-3875.00; -3858.00] kJ/mol Show Hide
Δcsolid -3874.90 ± 0.80 kJ/mol NIST
Δcsolid -3874.40 ± 4.60 kJ/mol NIST
Δcsolid -3875.00 ± 0.75 kJ/mol NIST
Δcsolid -3864.00 kJ/mol NIST
Δcsolid -3858.00 kJ/mol NIST
Δf -146.48 kJ/mol Joback Calculated Property
Δfgas -320.60 ± 1.50 kJ/mol NIST
Δfgas -320.60 kJ/mol NIST
Δfgas -331.20 kJ/mol NIST
Δfsolid -416.50 ± 1.50 kJ/mol NIST
Δfsolid -416.50 ± 0.92 kJ/mol NIST
Δfsolid -427.10 ± 3.80 kJ/mol NIST
Δfus 15.81 kJ/mol Joback Calculated Property
Δsub 95.90 ± 0.10 kJ/mol NIST
Δsub 95.90 ± 0.10 kJ/mol NIST
Δsub 95.90 kJ/mol NIST
Δvap 59.77 kJ/mol Joback Calculated Property
IE 9.10 eV NIST
IE 9.40 eV NIST
logPoct/wat 1.69 Crippen Calculated Property
Pc 4356.87 kPa Joback Calculated Property
Tboil 531.70 K NIST
Tc 767.50 K Joback Calculated Property
Tfus [376.50; 380.00] K Show Hide
Tfus 380.00 ± 1.50 K NIST
Tfus 376.50 ± 0.05 K NIST
Tfus 377.65 ± 2.00 K NIST
Tfus 376.90 ± 0.30 K NIST
Vc 0.40 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 235.84 J/mol×K 560.15 Joback Calculated Property
Cp,solid 174.90 J/mol×K 298.0 NIST
η 0.00 Pa×s 560.15 Joback Calculated Property
ΔfusH 20.17 kJ/mol 376.9 NIST
ΔfusH 20.17 kJ/mol 376.9 NIST
ΔfusH 20.17 kJ/mol 376.9 NIST
ΔfusS 53.50 J/mol×K 376.9 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 2
-OH (alcohol) 1
>C=O (nonring) 1
-CH3 1
=CH- (ring) 4

Similar Compounds

Benzoic acid, 2-formyl-. Benzoic acid, 2,6-dimethyl-. Ammonium o-phthalate. 1,2-Benzenedicarboxylic acid. Ammonium acid o-phthalate. Benzoic acid, 2,4-dimethyl-. Benzoic acid, 2,5-dimethyl-. Benzoic acid, 2-methyl-, methyl ester. Benzoic acid, 2,4,6-trimethyl-. Benzoic acid, 2,3-dimethyl-. O-cyanobenzoic acid. Benzoic acid, 2,4,5-trimethyl-. 2,3,6-Trimethylbenzoic acid. 2,3,5,6-Tetramethylbenzoic acid. Ethyl o-methylbenzoate.

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