- InChI
- InChI=1S/C13H27NO2/c1-10(2)9-16-11(15)14(12(3,4)5)13(6,7)8/h10H,9H2,1-8H3
- InChI Key
- ITYARLOMXDAOCM-UHFFFAOYSA-N
- Formula
- C13H27NO2
- SMILES
-
CC(C)COC(=O)N(C(C)(C)C)C(C)(C)
C - Molecular Weight1
- 229.36
- 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).
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | -61.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -511.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.75 | kJ/mol | Joback Calculated Property |
| log10WS | -3.66 | Crippen Calculated Property | |
| logPoct/wat | 3.678 | Crippen Calculated Property | |
| McVol | 211.450 | ml/mol | McGowan Calculated Property |
| Pc | 1771.36 | kPa | Joback Calculated Property |
| Inp | 1121.00 | NIST | |
| Tboil | 578.67 | K | Joback Calculated Property |
| Tc | 766.80 | K | Joback Calculated Property |
| Tfus | 330.74 | K | Joback Calculated Property |
| Vc | 0.777 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [558.70; 656.87] | J/mol×K | [578.67; 766.80] | 
|
| Cp,gas | 558.70 | J/mol×K | 578.67 | Joback Calculated Property |
| Cp,gas | 577.54 | J/mol×K | 610.02 | Joback Calculated Property |
| Cp,gas | 595.32 | J/mol×K | 641.38 | Joback Calculated Property |
| Cp,gas | 612.10 | J/mol×K | 672.73 | Joback Calculated Property |
| Cp,gas | 627.92 | J/mol×K | 704.09 | Joback Calculated Property |
| Cp,gas | 642.83 | J/mol×K | 735.44 | Joback Calculated Property |
| Cp,gas | 656.87 | J/mol×K | 766.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isobutylcarbamate, N-tert.-butyl.
Sources
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