- InChI
- InChI=1S/C6H13NO/c1-6(2)3-4-7-5-8/h5-6H,3-4H2,1-2H3,(H,7,8)
- InChI Key
- WRWGCPXFAJKWDW-UHFFFAOYSA-N
- Formula
- C6H13NO
- SMILES
- CC(C)CCNC=O
- Molecular Weight1
- 115.17
- 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° | -12.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -204.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.72 | kJ/mol | Joback Calculated Property |
| log10WS | -1.06 | Crippen Calculated Property | |
| logPoct/wat | 0.778 | Crippen Calculated Property | |
| McVol | 106.950 | ml/mol | McGowan Calculated Property |
| Pc | 3464.28 | kPa | Joback Calculated Property |
| Inp | [1112.00; 1112.00] |
|
|
| Inp | 1112.00 | NIST | |
| Inp | 1112.00 | NIST | |
| Tboil | 435.07 | K | Joback Calculated Property |
| Tc | 616.14 | K | Joback Calculated Property |
| Tfus | 237.04 | K | Joback Calculated Property |
| Vc | 0.417 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [220.08; 278.43] | J/mol×K | [435.07; 616.14] |
|
| Cp,gas | 220.08 | J/mol×K | 435.07 | Joback Calculated Property |
| Cp,gas | 230.91 | J/mol×K | 465.25 | Joback Calculated Property |
| Cp,gas | 241.29 | J/mol×K | 495.43 | Joback Calculated Property |
| Cp,gas | 251.22 | J/mol×K | 525.61 | Joback Calculated Property |
| Cp,gas | 260.71 | J/mol×K | 555.79 | Joback Calculated Property |
| Cp,gas | 269.78 | J/mol×K | 585.97 | Joback Calculated Property |
| Cp,gas | 278.43 | J/mol×K | 616.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-Isopentylformamide.
Sources
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