Chemical Properties of Acetamide, N-[4-(1,1-dimethylethyl)phenyl]- (CAS 20330-45-4)

Acetamide, N-[4-(1,1-dimethylethyl)phenyl]-

InChI
InChI=1S/C12H17NO/c1-9(14)13-11-7-5-10(6-8-11)12(2,3)4/h5-8H,1-4H3,(H,13,14)
InChI Key
RMUYDDKCUZHVHY-UHFFFAOYSA-N
Formula
C12H17NO
SMILES
CC(=O)Nc1ccc(C(C)(C)C)cc1
Molecular Weight1
191.27
CAS
20330-45-4
Other Names
  • Acetanilide, 4'-tert-butyl-
  • 4'-tert-Butylacetanilide
  • p-tert-Butylacetanilide
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Physical Properties

Property Value Unit Source
ΔfH°gas -237.32 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 19.77 kJ/mol Joback Calculated Property
ΔvapH° 74.06 kJ/mol Relay (1.0) Calculated Property
IE 8.04 eV Relay (1.0) Calculated Property
log10WS -3.46 Relay (1.0) Calculated Property
logPoct/wat 2.942 Crippen Calculated Property
McVol 167.730 ml/mol McGowan Calculated Property
Pc 2605.74 kPa Joback Calculated Property
Tboil 558.87 K Relay (1.0) Calculated Property
Tc 804.23 K Relay (1.0) Calculated Property
Tfus 356.12 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [220.99; 544.23] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-4.59500e+01
Coefficient B1.17948e+00
Coefficient C-7.94860e-04
Coefficient D2.05560e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 220.99 J/mol×K 273.00 Calculated Property
Cp,gas 280.94 J/mol×K 353.78 Calculated Property
Cp,gas 333.37 J/mol×K 434.56 Calculated Property
Cp,gas 378.92 J/mol×K 515.33 Calculated Property
Cp,gas 418.24 J/mol×K 596.11 Calculated Property
Cp,gas 451.99 J/mol×K 676.89 Calculated Property
Cp,gas 480.81 J/mol×K 757.67 Calculated Property
Cp,gas 505.36 J/mol×K 838.44 Calculated Property
Cp,gas 526.28 J/mol×K 919.22 Calculated Property
Cp,gas 544.23 J/mol×K 1000.00 Calculated Property

Similar Compounds

Aniline, n-tert-butyl-4-tert-butyl-. Aniline, 4-tert-butyl-n-ethyl-. M-acetotoluidine, 4'-tert-butyl-. Acetamide, N-[2,4-bis(1,1-dimethylethyl)phenyl]-. Aniline, p-tert-butyl-n-methyl-. Acetanilide, 2-tert-butyl-. O-acetotoluidine, 4-tert-butyl-. N-(4-ethylphenyl)acetamide. Acetanilide, n,4-ditertiary butyl-. Acetanilide, 4(2'-butyl)-. Acetamide, n-[2-[1,1-dimethylethyl)-4-methylphenyl]. Urea,1- (4'-tert-butyl-2'-chlorophenyl)-. 4-t-Butylbenzeneamine. Acetanilide, 2-tert-butyl-5-methyl. p-ACETAMIDOBENZOTRIFLUORIDE.

Find more compounds similar to Acetamide, N-[4-(1,1-dimethylethyl)phenyl]-.

Sources

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