- InChI
- InChI=1S/C8H17NO/c1-3-5-7-9-8(10)6-4-2/h3-7H2,1-2H3,(H,9,10)
- InChI Key
- QJGWNDLRYDTKEI-UHFFFAOYSA-N
- Formula
- C8H17NO
- SMILES
- CCCCNC(=O)CCC
- Molecular Weight1
- 143.23
- CAS
- 10264-16-1
- 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 | 0.5722 | Relay (1.0) Calculated Property | |
| ΔfG° | -23.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -359.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.703 | Crippen Calculated Property | |
| McVol | 135.130 | ml/mol | McGowan Calculated Property |
| Pc | 2741.15 | kPa | Joback Calculated Property |
| Inp | [1228.00; 1228.00] |
|
|
| Inp | 1228.00 | NIST | |
| Inp | 1228.00 | NIST | |
| Tboil | 477.45 | K | Relay (1.0) Calculated Property |
| Tc | 678.88 | K | Relay (1.0) Calculated Property |
| Tfus | 249.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.517 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [192.30; 457.96] | 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 | 1.76500e+00 | |||
| Coefficient B | 8.12040e-01 | |||
| Coefficient C | -4.41300e-04 | |||
| Coefficient D | 8.54600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 192.30 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 237.60 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 278.32 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 314.74 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 347.12 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 375.74 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 400.86 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 422.76 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 441.70 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 457.96 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Butanamide, N-butyl-.
Sources
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