Chemical Properties of 4-t-Butylbenzonitrile (CAS 4210-32-6)

4-t-Butylbenzonitrile

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InChI
InChI=1S/C11H13N/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,1-3H3
InChI Key
IIZURLNRIMKEDL-UHFFFAOYSA-N
Formula
C11H13N
SMILES
CC(C)(C)c1ccc(C#N)cc1
Molecular Weight1
159.23
CAS
4210-32-6
Other Names
  • Benzonitrile, 4-(1,1-dimethylethyl)-
  • Benzonitrile, p-tert-butyl-
  • p-tert-Butylbenzonitrile
  • 4-tert-Butyl-benzonitrile
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Physical Properties

Property Value Unit Source
Δf 280.54 kJ/mol Joback Calculated Property
Δfgas 110.82 kJ/mol Joback Calculated Property
Δfus 11.99 kJ/mol Joback Calculated Property
Δvap 52.20 kJ/mol Joback Calculated Property
IE [8.80; 9.11] eV Show Hide
IE 9.11 ± 0.02 eV NIST
IE 8.80 eV NIST
log10WS -3.14 Crippen Calculated Property
logPoct/wat 2.856 Crippen Calculated Property
McVol 143.470 ml/mol McGowan Calculated Property
Pc 2592.49 kPa Joback Calculated Property
Tboil 581.59 K Joback Calculated Property
Tc 815.92 K Joback Calculated Property
Tfus 320.08 K Joback Calculated Property
Vc 0.558 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [337.28; 406.69] J/mol×K [581.59; 815.92] Show Hide
Cp,gas 337.28 J/mol×K 581.59 Joback Calculated Property
Cp,gas 351.17 J/mol×K 620.65 Joback Calculated Property
Cp,gas 364.04 J/mol×K 659.70 Joback Calculated Property
Cp,gas 375.97 J/mol×K 698.76 Joback Calculated Property
Cp,gas 387.00 J/mol×K 737.81 Joback Calculated Property
Cp,gas 397.23 J/mol×K 776.87 Joback Calculated Property
Cp,gas 406.69 J/mol×K 815.92 Joback Calculated Property

Similar Compounds

Benzene, 1,4-bis(1,1-dimethylethyl)-. Benzene, tert-butyl-. 4-tert-Butyltoluene. Benzene, 1-bromo-4-(1,1-dimethylethyl)-. Ethanone, 1-[4-(1,1-dimethylethyl)phenyl]-. Benzene, 1,3-bis(1,1-dimethylethyl)-. 1-Chloro-4-(1,1-dimethylethyl)benzene. Benzoyl chloride, 4-(1,1-dimethylethyl)-. 4-tert-butylbenzaldehyde. Benzonitrile, 4-(1-methylethyl)-. Benzene, 1-(1-methylethyl)-4-(1,1-dimethylethyl). 1-Tert-butyl-4-isopropylbenzene. Phenol, p-tert-butyl-. Naphthalene, 2,6-bis(1,1-dimethylethyl)-. Naphthalene, 2-(1,1-dimethylethyl)-.

Find more compounds similar to 4-t-Butylbenzonitrile.

Sources

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