- InChI
- InChI=1S/C7H15NO/c1-4-5-8-7(9)6(2)3/h6H,4-5H2,1-3H3,(H,8,9)
- InChI Key
- FYRBHLFWWSLQGB-UHFFFAOYSA-N
- Formula
- C7H15NO
- SMILES
- CCCNC(=O)C(C)C
- Molecular Weight1
- 129.20
- 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° | -33.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -252.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.97 | kJ/mol | Joback Calculated Property |
| log10WS | -1.48 | Crippen Calculated Property | |
| logPoct/wat | 1.169 | Crippen Calculated Property | |
| McVol | 121.040 | ml/mol | McGowan Calculated Property |
| Pc | 3065.95 | kPa | Joback Calculated Property |
| Inp | [1090.00; 1090.00] |
|
|
| Inp | 1090.00 | NIST | |
| Inp | 1090.00 | NIST | |
| Tboil | 463.16 | K | Joback Calculated Property |
| Tc | 647.45 | K | Joback Calculated Property |
| Tfus | 256.24 | K | Joback Calculated Property |
| Vc | 0.463 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [259.41; 325.37] | J/mol×K | [463.16; 647.45] |
|
| Cp,gas | 259.41 | J/mol×K | 463.16 | Joback Calculated Property |
| Cp,gas | 271.69 | J/mol×K | 493.87 | Joback Calculated Property |
| Cp,gas | 283.44 | J/mol×K | 524.59 | Joback Calculated Property |
| Cp,gas | 294.67 | J/mol×K | 555.30 | Joback Calculated Property |
| Cp,gas | 305.40 | J/mol×K | 586.02 | Joback Calculated Property |
| Cp,gas | 315.63 | J/mol×K | 616.73 | Joback Calculated Property |
| Cp,gas | 325.37 | J/mol×K | 647.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isobutyramide, N-propyl-.
Sources
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