- InChI
- InChI=1S/C10H21NO/c1-4-5-6-7-8-11-10(12)9(2)3/h9H,4-8H2,1-3H3,(H,11,12)
- InChI Key
- JCQNCGYMFKRRII-UHFFFAOYSA-N
- Formula
- C10H21NO
- SMILES
- CCCCCCNC(=O)C(C)C
- Molecular Weight1
- 171.28
- 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° | -8.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -314.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.65 | kJ/mol | Joback Calculated Property |
| log10WS | -2.73 | Crippen Calculated Property | |
| logPoct/wat | 2.339 | Crippen Calculated Property | |
| McVol | 163.310 | ml/mol | McGowan Calculated Property |
| Pc | 2280.59 | kPa | Joback Calculated Property |
| Inp | [1393.00; 1393.00] |
|
|
| Inp | 1393.00 | NIST | |
| Inp | 1393.00 | NIST | |
| Tboil | 531.80 | K | Joback Calculated Property |
| Tc | 710.71 | K | Joback Calculated Property |
| Tfus | 290.05 | K | Joback Calculated Property |
| Vc | 0.630 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [394.18; 474.20] | J/mol×K | [531.80; 710.71] |
|
| Cp,gas | 394.18 | J/mol×K | 531.80 | Joback Calculated Property |
| Cp,gas | 409.10 | J/mol×K | 561.62 | Joback Calculated Property |
| Cp,gas | 423.37 | J/mol×K | 591.44 | Joback Calculated Property |
| Cp,gas | 436.99 | J/mol×K | 621.25 | Joback Calculated Property |
| Cp,gas | 450.00 | J/mol×K | 651.07 | Joback Calculated Property |
| Cp,gas | 462.39 | J/mol×K | 680.89 | Joback Calculated Property |
| Cp,gas | 474.20 | J/mol×K | 710.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isobutyramide, N-hexyl-.
Sources
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