Chemical Properties of Benzonitrile, 4-(1-methylethyl)- (CAS 13816-33-6)

Benzonitrile, 4-(1-methylethyl)-

InChI
InChI=1S/C10H11N/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8H,1-2H3
InChI Key
YFDJCWXBKWRDPW-UHFFFAOYSA-N
Formula
C10H11N
SMILES
CC(C)c1ccc(C#N)cc1
Molecular Weight1
145.20
CAS
13816-33-6
Other Names
  • 4-(1-Methylethyl)benzonitrile
  • 4-Isopropylbenzonitrile
  • Benzonitrile, p-isopropyl-
  • Cuminyl nitrile
  • p-Cyanocumene
  • p-Isopropylbenzonitrile
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Physical Properties

Property Value Unit Source
ω 0.4270 Relay (1.0) Calculated Property
ΔfG° 266.84 kJ/mol Joback Calculated Property
ΔfH°gas 114.91 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 13.29 kJ/mol Joback Calculated Property
ΔvapH° 64.53 kJ/mol Relay (1.0) Calculated Property
IE 9.41 eV Relay (1.0) Calculated Property
log10WS -3.45 Relay (1.0) Calculated Property
logPoct/wat 2.682 Crippen Calculated Property
McVol 129.380 ml/mol McGowan Calculated Property
Pc 2832.35 kPa Joback Calculated Property
Tboil 510.74 K Relay (1.0) Calculated Property
Tc 735.32 K Relay (1.0) Calculated Property
Tfus 273.15 K Relay (1.0) Calculated Property
Vc 0.464 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [288.12; 352.22] J/mol×K [561.50; 790.91] Show Hide
Cp,gas 288.12 J/mol×K 561.50 Joback Calculated Property
Cp,gas 300.69 J/mol×K 599.73 Joback Calculated Property
Cp,gas 312.46 J/mol×K 637.97 Joback Calculated Property
Cp,gas 323.47 J/mol×K 676.20 Joback Calculated Property
Cp,gas 333.74 J/mol×K 714.44 Joback Calculated Property
Cp,gas 343.31 J/mol×K 752.67 Joback Calculated Property
Cp,gas 352.22 J/mol×K 790.91 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [426.12; 549.85] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.85669e+01
Coefficient B-5.96761e+03
Coefficient C-9.96520e+01
Temperature range, min.426.12
Temperature range, max.549.85
Pvap 1.33 kPa 426.12 Calculated Property
Pvap 2.79 kPa 439.87 Calculated Property
Pvap 5.52 kPa 453.62 Calculated Property
Pvap 10.36 kPa 467.36 Calculated Property
Pvap 18.59 kPa 481.11 Calculated Property
Pvap 32.04 kPa 494.86 Calculated Property
Pvap 53.23 kPa 508.61 Calculated Property
Pvap 85.55 kPa 522.35 Calculated Property
Pvap 133.46 kPa 536.10 Calculated Property
Pvap 202.63 kPa 549.85 Calculated Property

Similar Compounds

Benzene, 1,4-bis(1-methylethyl)-. 1-Tert-butyl-4-isopropylbenzene. Benzene, 1-(1-methylethyl)-4-(1,1-dimethylethyl). d14 Cymene. p-Cymene. Benzene, (1-methylethyl)-. Benzene, 1-ethyl-4-(1-methylethyl)-. Benzaldehyde, 4-(1-methylethyl)-. 4-Isopropylphenylacetonitrile. Ethanone, 1-[4-(1-methylethyl)phenyl]-. 7-Chloro-p-cymene. Benzene, 1-chloro-4-(1-methylethyl)-. Benzene, 1-iodo-4-(1-methylethyl)-. Benzene, 1-bromo-4-(1-methylethyl)-. 4-isopropyl styrene.

Find more compounds similar to Benzonitrile, 4-(1-methylethyl)-.

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