- InChI
- InChI=1S/C7H15NO/c1-3-4-5-6-7(9)8-2/h3-6H2,1-2H3,(H,8,9)
- InChI Key
- RSPBQSYWXAROOO-UHFFFAOYSA-N
- Formula
- C7H15NO
- SMILES
- CCCCCC(=O)NC
- Molecular Weight1
- 129.20
- CAS
- 3418-05-1
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5363 | Relay (1.0) Calculated Property | |
| ΔfG° | -31.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -332.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.313 | Crippen Calculated Property | |
| McVol | 121.040 | ml/mol | McGowan Calculated Property |
| Pc | 3038.96 | kPa | Joback Calculated Property |
| Inp | [1123.00; 1123.00] |
|
|
| Inp | 1123.00 | NIST | |
| Inp | 1123.00 | NIST | |
| Tboil | 465.82 | K | Relay (1.0) Calculated Property |
| Tc | 668.82 | K | Relay (1.0) Calculated Property |
| Tfus | 281.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.460 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [171.09; 406.37] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.67400e+00 | |||
| Coefficient B | 7.17040e-01 | |||
| Coefficient C | -3.86900e-04 | |||
| Coefficient D | 7.35600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 171.09 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 211.18 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 247.24 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 279.51 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 308.21 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 333.57 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 355.84 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 375.24 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 392.01 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 406.37 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexanamide, N-methyl.
Sources
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