- InChI
- InChI=1S/C5H11NO2/c1-2-3-4-8-5(6)7/h2-4H2,1H3,(H2,6,7)
- InChI Key
- SKKTUOZKZKCGTB-UHFFFAOYSA-N
- Formula
- C5H11NO2
- SMILES
- CCCCOC(N)=O
- Molecular Weight1
- 117.15
- CAS
- 592-35-8
- Other Names
-
- Carbamic acid, butyl ester
- USAF el-101
- USAF fo-1
- n-Butyl carbamate
- o-butyl 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).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- 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 | 0.6122 | Relay (1.0) Calculated Property | |
| ΔfG° | -176.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -516.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.66 | Aq. Solubility Prediction | |
| logPoct/wat | 0.882 | Crippen Calculated Property | |
| McVol | 98.730 | ml/mol | McGowan Calculated Property |
| Pc | 3930.78 | kPa | Joback Calculated Property |
| Tboil | 437.41 | K | Relay (1.0) Calculated Property |
| Tc | 619.43 | K | Relay (1.0) Calculated Property |
| Tfus | 214.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.375 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [210.55; 261.42] | J/mol×K | [462.62; 655.10] | 
|
| Cp,gas | 210.55 | J/mol×K | 462.62 | Joback Calculated Property |
| Cp,gas | 219.90 | J/mol×K | 494.70 | Joback Calculated Property |
| Cp,gas | 228.90 | J/mol×K | 526.78 | Joback Calculated Property |
| Cp,gas | 237.55 | J/mol×K | 558.86 | Joback Calculated Property |
| Cp,gas | 245.86 | J/mol×K | 590.94 | Joback Calculated Property |
| Cp,gas | 253.81 | J/mol×K | 623.02 | Joback Calculated Property |
| Cp,gas | 261.42 | J/mol×K | 655.10 | Joback Calculated Property |
| ΔsubH | 94.00 ± 8.00 | kJ/mol | 304.00 | NIST |
Similar Compounds
Find more compounds similar to Butyl carbamate.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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