Chemical Properties of Tert-butyl carbanilate (CAS 3422-01-3)

Tert-butyl carbanilate

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InChI
InChI=1S/C11H15NO2/c1-11(2,3)14-10(13)12-9-7-5-4-6-8-9/h4-8H,1-3H3,(H,12,13)
InChI Key
KZZHPWMVEVZEFG-UHFFFAOYSA-N
Formula
C11H15NO2
SMILES
CC(C)(C)OC(=O)Nc1ccccc1
Molecular Weight1
193.24
CAS
3422-01-3
Other Names
  • Carbamic acid, phenyl, tert-butyl ester
  • Carbamic acid, phenyl, tert.-butyl ester
  • Carbamic acid, phenyl-, 1,1-dimethylethyl ester
  • Carbanilic acid, tert-butyl ester
  • N-Phenyl-O-tert-butylurethane
  • t-Butyl carbanilate
  • tert-Butyl N-phenylcarbamate
  • tert-Butyl N-phenylurethane
  • tert-Butyl phenylcarbamate
  • tert-Butyl phenylurethane
  • tert.-Butyl N-phenyl carbamate
Sources

Physical Properties

Property Value Unit Source
Δf 12.46 kJ/mol Joback Calculated Property
Δfgas -233.92 kJ/mol Joback Calculated Property
Δfus 18.76 kJ/mol Joback Calculated Property
Δvap 56.65 kJ/mol Joback Calculated Property
logPoct/wat 3.03 Crippen Calculated Property
Pc 2875.03 kPa Joback Calculated Property
Tboil 600.99 K Joback Calculated Property
Tc 822.79 K Joback Calculated Property
Tfus 367.39 K Joback Calculated Property
Vc 0.59 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 399.67 J/mol×K 600.99 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 5
=C< (ring) 1
>C< 1
>NH 1
-CH3 3

Similar Compounds

Carbamic acid, phenyl-, 1-methylethyl ester. Ethyl N-phenylcarbamate. Carbamic acid, 4-methylphenyl, 1-methylethyl ester. Phenylcarbamic acid butyl ester. Carbamic acid, 4-methylphenyl, ethyl ester. Carbamic acid, phenyl-, methyl ester. Carbanilic acid, n-pentyl ester. Carbamic acid, 4-bromophenyl-, ethyl ester. Carbamic acid, 4-iodophenyl, ethyl ester. Carbanilic acid, n-undecyl ester. Carbanilic acid, n-dodecyl ester. Carbanilic acid, n-nonyl ester. Carbamic acid, (4-chlorophenyl)-, ethyl ester. Isobutylcarbamate, N-(4-methylphenyl). Carbamic acid, 4-ethylphenyl, ethyl ester.

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