- 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-, 1,1-dimethylethyl ester
- Carbanilic acid, tert-butyl ester
- tert-Butyl phenylcarbamate
- tert-Butyl phenylurethane
- tert-Butyl N-phenylcarbamate
- tert-Butyl N-phenylurethane
- t-Butyl carbanilate
- N-Phenyl-O-tert-butylurethane
- Carbamic acid, phenyl, tert-butyl ester
- Carbamic acid, phenyl, tert.-butyl ester
- tert.-Butyl N-phenyl carbamate
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5737 | Relay (1.0) Calculated Property | |
| ΔfG° | 12.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -385.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.034 | Crippen Calculated Property | |
| McVol | 159.510 | ml/mol | McGowan Calculated Property |
| Pc | 2875.03 | kPa | Joback Calculated Property |
| Inp | [1450.00; 1470.00] |
|
|
| Inp | 1465.00 | NIST | |
| Inp | 1468.00 | NIST | |
| Inp | 1470.00 | NIST | |
| Inp | 1464.00 | NIST | |
| Inp | 1450.00 | NIST | |
| I | 1953.00 | NIST | |
| Tboil | 530.30 | K | Relay (1.0) Calculated Property |
| Tc | 770.25 | K | Relay (1.0) Calculated Property |
| Tfus | 331.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.583 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [399.67; 475.10] | J/mol×K | [600.99; 822.79] |
|
| Cp,gas | 399.67 | J/mol×K | 600.99 | Joback Calculated Property |
| Cp,gas | 414.69 | J/mol×K | 637.96 | Joback Calculated Property |
| Cp,gas | 428.67 | J/mol×K | 674.92 | Joback Calculated Property |
| Cp,gas | 441.65 | J/mol×K | 711.89 | Joback Calculated Property |
| Cp,gas | 453.68 | J/mol×K | 748.86 | Joback Calculated Property |
| Cp,gas | 464.81 | J/mol×K | 785.82 | Joback Calculated Property |
| Cp,gas | 475.10 | J/mol×K | 822.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to tert-Butyl carbanilate.
Sources
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