- 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
- 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° | -252.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -516.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.31 | 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 | 3736.23 | kPa | Joback Calculated Property |
| Tboil | 437.41 | K | Relay (1.0) Calculated Property |
| Tc | 625.25 | K | Relay (1.0) Calculated Property |
| Tfus | 212.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.382 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [207.58; 259.65] | J/mol×K | [444.75; 633.83] | 
|
| Cp,gas | 207.58 | J/mol×K | 444.75 | Joback Calculated Property |
| Cp,gas | 217.22 | J/mol×K | 476.26 | Joback Calculated Property |
| Cp,gas | 226.48 | J/mol×K | 507.78 | Joback Calculated Property |
| Cp,gas | 235.35 | J/mol×K | 539.29 | Joback Calculated Property |
| Cp,gas | 243.83 | J/mol×K | 570.81 | Joback Calculated Property |
| Cp,gas | 251.93 | J/mol×K | 602.32 | Joback Calculated Property |
| Cp,gas | 259.65 | J/mol×K | 633.83 | 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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