Chemical Properties of 2,6-Dimethylbenzonitrile (CAS 6575-13-9)

2,6-Dimethylbenzonitrile

PDF Excel Molecule Calculator
InChI
InChI=1S/C9H9N/c1-7-4-3-5-8(2)9(7)6-10/h3-5H,1-2H3
InChI Key
QSACPWSIIRFHHR-UHFFFAOYSA-N
Formula
C9H9N
SMILES
Cc1cccc(C)c1C#N
Molecular Weight1
131.17
CAS
6575-13-9
Other Names
  • Benzonitrile, 2,6-dimethyl-
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
Δcsolid -4890.10 ± 1.00 kJ/mol NIST
Δf 251.23 kJ/mol Joback Calculated Property
Δfgas 146.20 ± 3.20 kJ/mol NIST
Δfsolid 62.30 ± 1.50 kJ/mol NIST
Δfus 13.83 kJ/mol Joback Calculated Property
Δsub [83.90; 83.90] kJ/mol Show Hide
Δsub 83.90 ± 2.80 kJ/mol NIST
Δsub 83.90 kJ/mol NIST
Δvap 49.71 kJ/mol Joback Calculated Property
log10WS -2.78 Crippen Calculated Property
logPoct/wat 2.175 Crippen Calculated Property
McVol 115.290 ml/mol McGowan Calculated Property
Pc 3065.95 kPa Joback Calculated Property
Tboil 544.04 K Joback Calculated Property
Tc 773.77 K Joback Calculated Property
Tfus 307.64 K Joback Calculated Property
Vc 0.458 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [242.78; 298.89] J/mol×K [544.04; 773.77] Show Hide
Cp,gas 242.78 J/mol×K 544.04 Joback Calculated Property
Cp,gas 253.66 J/mol×K 582.33 Joback Calculated Property
Cp,gas 263.89 J/mol×K 620.62 Joback Calculated Property
Cp,gas 273.51 J/mol×K 658.91 Joback Calculated Property
Cp,gas 282.54 J/mol×K 697.19 Joback Calculated Property
Cp,gas 290.99 J/mol×K 735.48 Joback Calculated Property
Cp,gas 298.89 J/mol×K 773.77 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [391.09; 532.52] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.60960e+01
Coefficient B-4.79956e+03
Coefficient C-8.74780e+01
Temperature range, min.391.09
Temperature range, max.532.52
Pvap 1.33 kPa 391.09 Calculated Property
Pvap 2.90 kPa 406.80 Calculated Property
Pvap 5.87 kPa 422.52 Calculated Property
Pvap 11.16 kPa 438.23 Calculated Property
Pvap 20.07 kPa 453.95 Calculated Property
Pvap 34.39 kPa 469.66 Calculated Property
Pvap 56.47 kPa 485.38 Calculated Property
Pvap 89.30 kPa 501.09 Calculated Property
Pvap 136.55 kPa 516.81 Calculated Property
Pvap 202.64 kPa 532.52 Calculated Property

Similar Compounds

2,3-Dimethylbenzonitrile. Benzonitrile, 2-methyl-. Benzonitrile, 2,4,6-trimethyl-. 2,4-Dimethylbenzonitrile. 2,5-Dimethylbenzonitrile. Benzene, 1,2,3-trimethyl-. 2,4,6-Trimethylbenzonitrile, N-oxide. Benzonitrile, 3,4-dimethyl-. Benzene, 1,2,3,4-tetramethyl-. Benzonitrile, 3-methyl-. Benzene, 1,2,4-trimethyl-. o-Xylene. 2-Methylbenzyl radical. 1,2-Di(methyl-d3)benzene-d4. 3-Cyanobenzyl radical.

Find more compounds similar to 2,6-Dimethylbenzonitrile.

Sources

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.