- InChI
- InChI=1S/C11H15NO2/c1-3-9(2)14-11(13)12-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,12,13)
- InChI Key
- IAZMIVQLMAXXLT-UHFFFAOYSA-N
- Formula
- C11H15NO2
- SMILES
- CCC(C)OC(O)=Nc1ccccc1
- Molecular Weight1
- 193.24
- Other Names
-
- Carbamic acid, phenyl, 2-butyl ester
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.7423 | Relay (1.0) Calculated Property | |
| ΔfG° | -16.08 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -345.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 87.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.047 | Crippen Calculated Property | |
| McVol | 159.510 | ml/mol | McGowan Calculated Property |
| Pc | 2603.08 | kPa | Joback Calculated Property |
| Inp | [1526.00; 1526.00] |
|
|
| Inp | 1526.00 | NIST | |
| Inp | 1526.00 | NIST | |
| I | [2066.00; 2066.00] |
|
|
| I | 2066.00 | NIST | |
| I | 2066.00 | NIST | |
| Tboil | 544.25 | K | Relay (1.0) Calculated Property |
| Tc | 757.74 | K | Relay (1.0) Calculated Property |
| Tfus | 334.76 | K | Relay (1.0) Calculated Property |
| Vc | 0.567 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to sec.-Butyl N-phenyl carbamate.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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