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

Benzonitrile, 2,4,6-trimethyl-

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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
  • «beta»-Isodurylonitrile
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Physical Properties

Property Value Unit Source
Δcsolid [-5530.70; -5513.60] kJ/mol Show Hide
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 [84.50; 106.40] kJ/mol Show Hide
Δfgas 106.40 ± 2.30 kJ/mol NIST
Δfgas 84.50 ± 3.00 kJ/mol NIST
Δfsolid [6.50; 23.50] kJ/mol Show Hide
Δfsolid 23.50 ± 1.60 kJ/mol NIST
Δfsolid 6.50 ± 2.80 kJ/mol NIST
Δfus 15.50 kJ/mol Benchma...
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
log10WS -3.25 Crippen Calculated Property
logPoct/wat 2.484 Crippen Calculated Property
McVol 129.380 ml/mol McGowan 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 0.513 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [286.16; 346.88] J/mol×K [571.90; 798.39] Show Hide
Cp,gas 286.16 J/mol×K 571.90 Joback Calculated Property
Cp,gas 297.82 J/mol×K 609.65 Joback Calculated Property
Cp,gas 308.84 J/mol×K 647.40 Joback Calculated Property
Cp,gas 319.24 J/mol×K 685.14 Joback Calculated Property
Cp,gas 329.03 J/mol×K 722.89 Joback Calculated Property
Cp,gas 338.24 J/mol×K 760.64 Joback Calculated Property
Cp,gas 346.88 J/mol×K 798.39 Joback Calculated Property
Cp,solid 220.50 J/mol×K 298.15 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [400.97; 557.98] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.52324e+01
Coefficient B-4.63378e+03
Coefficient C-9.09130e+01
Temperature range, min.400.97
Temperature range, max.557.98
Pvap 1.33 kPa 400.97 Calculated Property
Pvap 2.96 kPa 418.42 Calculated Property
Pvap 6.04 kPa 435.86 Calculated Property
Pvap 11.54 kPa 453.31 Calculated Property
Pvap 20.76 kPa 470.75 Calculated Property
Pvap 35.47 kPa 488.20 Calculated Property
Pvap 57.94 kPa 505.64 Calculated Property
Pvap 90.96 kPa 523.09 Calculated Property
Pvap 137.89 kPa 540.53 Calculated Property
Pvap 202.63 kPa 557.98 Calculated Property

Similar Compounds

2,4,6-Trimethylbenzonitrile, N-oxide. 2,4-Dimethylbenzonitrile. 2,6-Dimethylbenzonitrile. Benzene, 1,2,3,5-tetramethyl-. 2,5-Dimethylbenzonitrile. 2,3-Dimethylbenzonitrile. Benzonitrile, 3,4-dimethyl-. Benzonitrile, 2-methyl-. Benzene, 1,2,4-trimethyl-. Benzene, pentamethyl-. Benzene, 1,2,3,4-tetramethyl-. Benzene, 1,2,3-trimethyl-. Benzaldehyde, 2,4,6-trimethyl-. Benzene, 1,2,4,5-tetramethyl-. Benzene, 2-(chloromethyl)-1,3,5-trimethyl-.

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

Sources

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