- InChI
- InChI=1S/C9H19NO/c1-5-6-7-8(11)10-9(2,3)4/h5-7H2,1-4H3,(H,10,11)
- InChI Key
- FQLFIDDQEJIRBY-UHFFFAOYSA-N
- Formula
- C9H19NO
- SMILES
- CCCCC(=O)NC(C)(C)C
- Molecular Weight1
- 157.26
- 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 | 0.5367 | Relay (1.0) Calculated Property | |
| ΔfG° | -11.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -385.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.091 | Crippen Calculated Property | |
| McVol | 149.220 | ml/mol | McGowan Calculated Property |
| Pc | 2532.82 | kPa | Joback Calculated Property |
| Inp | [1156.00; 1156.00] |
|
|
| Inp | 1156.00 | NIST | |
| Inp | 1156.00 | NIST | |
| Tboil | 467.22 | K | Relay (1.0) Calculated Property |
| Tc | 672.85 | K | Relay (1.0) Calculated Property |
| Tfus | 268.14 | K | Relay (1.0) Calculated Property |
| Vc | 0.558 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [212.05; 511.02] | 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 | -2.36170e+01 | |||
| Coefficient B | 1.03288e+00 | |||
| Coefficient C | -6.67500e-04 | |||
| Coefficient D | 1.69260e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 212.05 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 265.74 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 313.07 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 354.56 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 390.75 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 422.19 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 449.40 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 472.92 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 493.28 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 511.02 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentanamide, N-tert.-butyl.
Sources
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