Chemical Properties of Benzonitrile, 2,4,6-trimethyl- (CAS 2571-52-0)

Benzonitrile, 2,4,6-trimethyl-

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

InChI
InChI=1S/C10H11N/c1-7-4-8(2)10(6-11)9(3)5-7/h4-5H,1-3H3
InChI Key
SNIZBGQMWRHNDY-UHFFFAOYSA-N
Formula
C10H11N
SMILES
Cc1cc(C)c(C#N)c(C)c1
Molecular Weight1
145.20
CAS
2571-52-0
Other Names
  • 2,4,6-Trimethylbenzonitrile
  • Cyanomesitylene
  • Mesitonitrile
  • Mesitylnitrile
  • «beta»-Isodurylonitrile
Sources

Physical Properties

Property Value Unit Source
Δcsolid -5530.70 ± 0.90 kJ/mol NIST
Δcsolid -5513.60 ± 2.80 kJ/mol NIST
Δf 250.02 kJ/mol Joback Calculated Property
Δfgas 106.40 ± 2.30 kJ/mol NIST
Δfgas 84.50 ± 3.00 kJ/mol NIST
Δfsolid 23.50 ± 1.60 kJ/mol NIST
Δfsolid 6.50 ± 2.80 kJ/mol NIST
Δfus 16.04 kJ/mol Joback Calculated Property
Δsub [78.00; 82.90] kJ/mol Show Hide
Δsub 82.90 ± 1.60 kJ/mol NIST
Δsub 82.90 kJ/mol NIST
Δsub 82.90 ± 1.60 kJ/mol NIST
Δsub 78.00 ± 1.20 kJ/mol NIST
Δsub 78.00 kJ/mol NIST
Δvap 52.59 kJ/mol Joback Calculated Property
logPoct/wat 2.48 Crippen Calculated Property
Pc 2721.17 kPa Joback Calculated Property
Tboil 571.90 K Joback Calculated Property
Tc 798.39 K Joback Calculated Property
Tfus 331.43 K Joback Calculated Property
Vc 0.51 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 286.16 J/mol×K 571.9 Joback Calculated Property
Cp,solid 220.50 J/mol×K 298.15 NIST

Molecular Descriptors

Joback and Reid Groups
-CN 1
-CH3 3
=CH- (ring) 2
=C< (ring) 4

Similar Compounds

2,4-Dimethylbenzonitrile. 2,6-Dimethylbenzonitrile. 2,5-Dimethylbenzonitrile. 2,4,6-Trimethylbenzonitrile, N-oxide. Benzonitrile, 2,3-dimethyl-. 1,2,4,5-Tetracyanobenzene. Benzene-1,2,4-tricarbonitrile. 3,4-Dimethylbenzoic acid nitrile. Benzonitrile, 2-methyl-. Benzene, 2,4-diisocyanato-1-methyl- and benzene, 2,6-diisocyanato-1-methyl-. Phthalonitrile. Benzene, 1,2,3,5-tetramethyl-. Benzene, hexamethyl-. Benzene, 1,2,3,4-tetramethyl-. Benzene, pentamethyl-.

Find more compounds similar to Benzonitrile, 2,4,6-trimethyl-.

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.