- InChI
- InChI=1S/C11H15NO2/c1-2-3-9-14-11(13)12-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,12,13)
- InChI Key
- ZTIMKJROOYMUMU-UHFFFAOYSA-N
- Formula
- C11H15NO2
- SMILES
- CCCCOC(=O)Nc1ccccc1
- Molecular Weight1
- 193.24
- CAS
- 1538-74-5
- Other Names
-
- Carbanilic acid, butyl ester
- Butyl carbanilate
- Butyl N-phenylcarbamate
- Butyl N-phenylurethane
- Butylphenylurethane
- Carbanilic acid, n-butyl ester
- Phenylcarbamic acid butyl ester
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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 | 0.6578 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -6077.00 ± 3.00 | kJ/mol | NIST |
| ΔfG° | 9.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -349.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.035 | Crippen Calculated Property | |
| McVol | 159.510 | ml/mol | McGowan Calculated Property |
| Pc | 2817.33 | kPa | Joback Calculated Property |
| Inp | [1579.00; 1619.00] |
|
|
| Inp | 1591.00 | NIST | |
| Inp | 1593.00 | NIST | |
| Inp | 1593.00 | NIST | |
| Inp | 1591.00 | NIST | |
| Inp | 1579.00 | NIST | |
| Inp | 1603.00 | NIST | |
| Inp | Outlier 1619.00 | NIST | |
| I | 2172.00 | NIST | |
| Tboil | 556.14 | K | Relay (1.0) Calculated Property |
| Tc | 786.91 | K | Relay (1.0) Calculated Property |
| Tfus | 301.42 | K | Relay (1.0) Calculated Property |
| Vc | 0.580 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [396.32; 469.67] | J/mol×K | [604.22; 813.47] |
|
| Cp,gas | 396.32 | J/mol×K | 604.22 | Joback Calculated Property |
| Cp,gas | 410.59 | J/mol×K | 639.10 | Joback Calculated Property |
| Cp,gas | 424.01 | J/mol×K | 673.97 | Joback Calculated Property |
| Cp,gas | 436.60 | J/mol×K | 708.85 | Joback Calculated Property |
| Cp,gas | 448.39 | J/mol×K | 743.72 | Joback Calculated Property |
| Cp,gas | 459.41 | J/mol×K | 778.60 | Joback Calculated Property |
| Cp,gas | 469.67 | J/mol×K | 813.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbamic acid, phenyl-, butyl ester.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.