- InChI
- InChI=1S/C9H19NO2/c1-4-5-6-10-9(11)12-7-8(2)3/h8H,4-7H2,1-3H3,(H,10,11)
- InChI Key
- LNQSASGEEAOEOM-UHFFFAOYSA-N
- Formula
- C9H19NO2
- SMILES
- CCCCNC(=O)OCC(C)C
- Molecular Weight1
- 173.25
- 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° | -122.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -425.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.83 | kJ/mol | Joback Calculated Property |
| log10WS | -2.38 | Crippen Calculated Property | |
| logPoct/wat | 2.169 | Crippen Calculated Property | |
| McVol | 155.090 | ml/mol | McGowan Calculated Property |
| Pc | 2462.92 | kPa | Joback Calculated Property |
| Inp | 1282.00 | NIST | |
| Tboil | 531.34 | K | Joback Calculated Property |
| Tc | 711.14 | K | Joback Calculated Property |
| Tfus | 301.01 | K | Joback Calculated Property |
| Vc | 0.593 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [372.98; 447.93] | J/mol×K | [531.34; 711.14] | 
|
| Cp,gas | 372.98 | J/mol×K | 531.34 | Joback Calculated Property |
| Cp,gas | 386.87 | J/mol×K | 561.31 | Joback Calculated Property |
| Cp,gas | 400.20 | J/mol×K | 591.27 | Joback Calculated Property |
| Cp,gas | 412.96 | J/mol×K | 621.24 | Joback Calculated Property |
| Cp,gas | 425.16 | J/mol×K | 651.21 | Joback Calculated Property |
| Cp,gas | 436.82 | J/mol×K | 681.18 | Joback Calculated Property |
| Cp,gas | 447.93 | J/mol×K | 711.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isobutylcarbamate, N-butyl.
Sources
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