- InChI
- InChI=1S/C5H11NO2/c1-5(2,3)8-4(6)7/h1-3H3,(H2,6,7)
- InChI Key
- LFKDJXLFVYVEFG-UHFFFAOYSA-N
- Formula
- C5H11NO2
- SMILES
- CC(C)(C)OC(N)=O
- Molecular Weight1
- 117.15
- CAS
- 4248-19-5
- Other Names
-
- Carbamic acid, 1,1-dimethylethyl ester
- o-t-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).
- 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 | 0.5301 | Relay (1.0) Calculated Property | |
| ΔfG° | -173.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -556.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.75 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.10 | Aq. Solubility Prediction | |
| logPoct/wat | 0.880 | Crippen Calculated Property | |
| McVol | 98.730 | ml/mol | McGowan Calculated Property |
| Pc | 4026.13 | kPa | Joback Calculated Property |
| Tboil | 411.30 | K | Relay (1.0) Calculated Property |
| Tc | 592.36 | K | Relay (1.0) Calculated Property |
| Tfus | 277.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.371 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [213.64; 267.99] | J/mol×K | [459.39; 664.62] | 
|
| Cp,gas | 213.64 | J/mol×K | 459.39 | Joback Calculated Property |
| Cp,gas | 224.01 | J/mol×K | 493.60 | Joback Calculated Property |
| Cp,gas | 233.84 | J/mol×K | 527.80 | Joback Calculated Property |
| Cp,gas | 243.13 | J/mol×K | 562.01 | Joback Calculated Property |
| Cp,gas | 251.91 | J/mol×K | 596.21 | Joback Calculated Property |
| Cp,gas | 260.19 | J/mol×K | 630.42 | Joback Calculated Property |
| Cp,gas | 267.99 | J/mol×K | 664.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to tert-Butyl carbamate.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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