Chemical Properties of Benzoic acid, 2,6-dimethyl- (CAS 632-46-2)

Benzoic acid, 2,6-dimethyl-

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C9H10O2/c1-6-4-3-5-7(2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11)
InChI Key
HCBHQDKBSKYGCK-UHFFFAOYSA-N
Formula
C9H10O2
SMILES
Cc1cccc(C)c1C(=O)O
Molecular Weight1
150.17
CAS
632-46-2
Other Names
  • 2,6-Dimethylbenzoic acid
Sources

Physical Properties

Property Value Unit Source
Δcsolid -4530.10 ± 0.79 kJ/mol NIST
Δf -147.69 kJ/mol Joback Calculated Property
Δfgas -341.60 ± 1.70 kJ/mol NIST
Δfgas -341.60 kJ/mol NIST
Δfsolid -440.70 ± 1.70 kJ/mol NIST
Δfsolid -440.70 ± 0.96 kJ/mol NIST
Δfus 18.02 kJ/mol Joback Calculated Property
Δsub [99.10; 106.40] kJ/mol Show Hide
Δsub 99.10 ± 0.20 kJ/mol NIST
Δsub 99.10 kJ/mol NIST
Δsub 99.10 ± 0.20 kJ/mol NIST
Δsub 106.40 ± 0.30 kJ/mol NIST
Δvap 62.65 kJ/mol Joback Calculated Property
IE 8.90 eV NIST
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 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 204.20 J/mol×K 299.65 NIST
η 0.00 Pa×s 588.01 Joback Calculated Property
ΔsubH 98.20 ± 0.20 kJ/mol 316.5 NIST
ΔsubH 104.50 ± 0.30 kJ/mol 336.0 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-methyl-. Benzoic acid, 2,3-dimethyl-. Benzoic acid, 2,4-dimethyl-. 2,3,6-Trimethylbenzoic acid. 2,3,5,6-Tetramethylbenzoic acid. 2,6-(CH3)2-C6H3-COOCH3. Benzoic acid, 2-formyl-. Benzoic acid, 2,5-dimethyl-. Pentamethylbenzoic acid. Ammonium acid o-phthalate. 1,2-Benzenedicarboxylic acid. Ammonium o-phthalate. 2,3,4,5-Tetramethylbenzoic acid. Ethyl 2,6-dimethylbenzoate.

Find more compounds similar to Benzoic acid, 2,6-dimethyl-.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.