- InChI
- InChI=1S/C5H11NO/c1-3-4-5(7)6-2/h3-4H2,1-2H3,(H,6,7)
- InChI Key
- OLLZXQIFCRIRMH-UHFFFAOYSA-N
- Formula
- C5H11NO
- SMILES
- CCCC(=O)NC
- Molecular Weight1
- 101.15
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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 | 0.4611 | Relay (1.0) Calculated Property | |
| ΔfG° | -48.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -287.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.68 ± 0.05 | eV | NIST |
| log10WS | 0.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.532 | Crippen Calculated Property | |
| McVol | 92.860 | ml/mol | McGowan Calculated Property |
| Pc | 3801.00 | kPa | Joback Calculated Property |
| Inp | [1005.00; 1005.00] |
|
|
| Inp | 1005.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Tboil | 431.41 | K | Relay (1.0) Calculated Property |
| Tc | 629.68 | K | Relay (1.0) Calculated Property |
| Tfus | 268.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.352 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | 207.00 | J/mol×K | 298.15 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [128.66; 303.19] | 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 | 4.49200e+00 | |||
| Coefficient B | 5.27040e-01 | |||
| Coefficient C | -2.78100e-04 | |||
| Coefficient D | 4.97600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 128.66 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 158.34 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 185.09 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 209.05 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 230.38 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 249.25 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 265.81 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 280.21 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 292.62 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 303.19 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Butanamide, N-methyl-.
Sources
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