- InChI
- InChI=1S/C6H13NO2/c1-6(2,3)9-5(8)7-4/h1-4H3,(H,7,8)
- InChI Key
- JHLVEBNWCCKSGY-UHFFFAOYSA-N
- Formula
- C6H13NO2
- SMILES
- CNC(=O)OC(C)(C)C
- Molecular Weight1
- 131.17
- CAS
- 16066-84-5
- Other Names
-
- tert-Butyl methylcarbamate
- Carbamic acid, methyl, tert-butyl ester
- tert-Butyl N-methylcarbamate
- tert.-Butyl N-methyl 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).
- 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 | 0.4730 | Relay (1.0) Calculated Property | |
| ΔfG° | -142.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -524.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.141 | Crippen Calculated Property | |
| McVol | 112.820 | ml/mol | McGowan Calculated Property |
| Pc | 3395.98 | kPa | Joback Calculated Property |
| Inp | [935.00; 935.00] |
|
|
| Inp | 935.00 | NIST | |
| Inp | 935.00 | NIST | |
| I | 1392.00 | NIST | |
| Tboil | 430.34 | K | Relay (1.0) Calculated Property |
| Tc | 612.11 | K | Relay (1.0) Calculated Property |
| Tfus | 275.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.419 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [243.97; 305.88] | J/mol×K | [459.91; 652.80] |
|
| Cp,gas | 243.97 | J/mol×K | 459.91 | Joback Calculated Property |
| Cp,gas | 255.67 | J/mol×K | 492.06 | Joback Calculated Property |
| Cp,gas | 266.79 | J/mol×K | 524.21 | Joback Calculated Property |
| Cp,gas | 277.36 | J/mol×K | 556.36 | Joback Calculated Property |
| Cp,gas | 287.39 | J/mol×K | 588.51 | Joback Calculated Property |
| Cp,gas | 296.89 | J/mol×K | 620.66 | Joback Calculated Property |
| Cp,gas | 305.88 | J/mol×K | 652.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbamic acid, N-methyl, t-butyl ester.
Sources
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