Chemical Properties of Benzonitrile, 2-methyl- (CAS 529-19-1)

Benzonitrile, 2-methyl-

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InChI
InChI=1S/C8H7N/c1-7-4-2-3-5-8(7)6-9/h2-5H,1H3
InChI Key
NWPNXBQSRGKSJB-UHFFFAOYSA-N
Formula
C8H7N
SMILES
Cc1ccccc1C#N
Molecular Weight1
117.15
CAS
529-19-1
Other Names
  • 1-Cyano-2-methylbenzene
  • 1-Methyl-2-cyanobenzene
  • 2-Cyanotoluene
  • 2-Methylbenzenecarbonitrile
  • 2-Methylbenzonitrile
  • 2-Toluenkarbonitril
  • 2-Tolunitrile
  • NSC 66549
  • O-CYANOTOLUENE
  • O-METHYLBENZONITRILE
  • O-TOLUNITRILE
  • O-TOLYNITRILE
  • o-Toluic nitrile
  • o-Toluonitrile
  • o-Tolylnitrile
  • o-toluenecarbonitrile
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Physical Properties

Property Value Unit Source
Δf 252.44 kJ/mol Joback Calculated Property
Δfgas 181.49 kJ/mol Joback Calculated Property
Δfus 11.63 kJ/mol Joback Calculated Property
Δvap 46.82 kJ/mol Joback Calculated Property
IE [9.38; 9.40] eV Show Hide
IE 9.40 eV NIST
IE 9.38 eV NIST
log10WS -2.30 Crippen Calculated Property
logPoct/wat 1.867 Crippen Calculated Property
McVol 101.200 ml/mol McGowan Calculated Property
Pc 3480.65 kPa Joback Calculated Property
Inp [172.60; 172.60]   Show Hide
Inp 172.60 NIST
Inp 172.60 NIST
I [1912.00; 1912.00]   Show Hide
I 1912.00 NIST
I 1912.00 NIST
Tboil [477.90; 478.35] K Show Hide
Tboil 478.20 K NIST
Tboil 477.90 ± 0.60 K NIST
Tboil 478.00 ± 0.50 K NIST
Tboil 478.35 ± 1.00 K NIST
Tc 749.09 K Joback Calculated Property
Tfus [260.90; 262.75] K Show Hide
Tfus 262.53 ± 0.30 K NIST
Tfus 262.75 ± 0.25 K NIST
Tfus 260.90 ± 0.35 K NIST
Tfus 261.10 ± 0.02 K NIST
Vc 0.402 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [201.15; 252.23] J/mol×K [516.18; 749.09] Show Hide
Cp,gas 201.15 J/mol×K 516.18 Joback Calculated Property
Cp,gas 211.18 J/mol×K 555.00 Joback Calculated Property
Cp,gas 220.58 J/mol×K 593.82 Joback Calculated Property
Cp,gas 229.35 J/mol×K 632.64 Joback Calculated Property
Cp,gas 237.53 J/mol×K 671.46 Joback Calculated Property
Cp,gas 245.15 J/mol×K 710.28 Joback Calculated Property
Cp,gas 252.23 J/mol×K 749.09 Joback Calculated Property
Pvap [0.02; 0.27] kPa [287.40; 324.20] Show Hide
Pvap 0.02 kPa 287.40 Benchma...
Pvap 0.02 kPa 289.20 Benchma...
Pvap 0.03 kPa 290.30 Benchma...
Pvap 0.03 kPa 292.40 Benchma...
Pvap 0.04 kPa 296.30 Benchma...
Pvap 0.05 kPa 298.10 Benchma...
Pvap 0.06 kPa 300.70 Benchma...
Pvap 0.08 kPa 305.10 Benchma...
Pvap 0.10 kPa 308.20 Benchma...
Pvap 0.12 kPa 311.00 Benchma...
Pvap 0.13 kPa 312.00 Benchma...
Pvap 0.12 kPa 312.00 Benchma...
Pvap 0.15 kPa 314.90 Benchma...
Pvap 0.16 kPa 316.10 Benchma...
Pvap 0.19 kPa 318.10 Benchma...
Pvap 0.22 kPa 321.10 Benchma...
Pvap 0.24 kPa 322.20 Benchma...
Pvap 0.27 kPa 324.20 Benchma...

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [352.52; 509.67] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.42131e+01
Coefficient B-3.87747e+03
Coefficient C-7.40760e+01
Temperature range, min.352.52
Temperature range, max.509.67
Pvap 1.33 kPa 352.52 Calculated Property
Pvap 3.03 kPa 369.98 Calculated Property
Pvap 6.29 kPa 387.44 Calculated Property
Pvap 12.09 kPa 404.90 Calculated Property
Pvap 21.76 kPa 422.36 Calculated Property
Pvap 37.03 kPa 439.83 Calculated Property
Pvap 60.02 kPa 457.29 Calculated Property
Pvap 93.28 kPa 474.75 Calculated Property
Pvap 139.74 kPa 492.21 Calculated Property
Pvap 202.66 kPa 509.67 Calculated Property

Similar Compounds

2,6-Dimethylbenzonitrile. 2,4-Dimethylbenzonitrile. 2,3-Dimethylbenzonitrile. 2,5-Dimethylbenzonitrile. 2-Methylbenzyl radical. 1,2-Di(methyl-d3)benzene-d4. o-Xylene. Benzonitrile, 3,4-dimethyl-. 4-Chloro-2-methylbenzonitrile. Benzonitrile, 3-methyl-. 2-(chloromethyl)benzonitrile. 5-Chloro-2-methylbenzonitrile. 4-Bromo-2-methylbenzonitrile. 5-Fluoro-2-methylbenzonitrile. 3-Cyanobenzyl radical.

Find more compounds similar to Benzonitrile, 2-methyl-.

Sources

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