- InChI
- InChI=1S/C17H35NO/c1-4-7-10-12-15-18(16-13-11-8-5-2)17(19)14-9-6-3/h4-16H2,1-3H3
- InChI Key
- JMPFRSTVOKJKHS-UHFFFAOYSA-N
- Formula
- C17H35NO
- SMILES
- CCCCCCN(CCCCCC)C(=O)CCCC
- Molecular Weight1
- 269.47
- 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 | 0.8230 | Relay (1.0) Calculated Property | |
| ΔfG° | 74.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -516.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.166 | Crippen Calculated Property | |
| McVol | 261.940 | ml/mol | McGowan Calculated Property |
| Pc | 1285.59 | kPa | Joback Calculated Property |
| Inp | [1923.00; 1923.00] |
|
|
| Inp | 1923.00 | NIST | |
| Inp | 1923.00 | NIST | |
| Tboil | 576.75 | K | Relay (1.0) Calculated Property |
| Tc | 767.27 | K | Relay (1.0) Calculated Property |
| Tfus | 267.15 | K | Relay (1.0) Calculated Property |
| Vc | 1.005 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [382.55; 923.42] | 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 | -1.58970e+01 | |||
| Coefficient B | 1.71476e+00 | |||
| Coefficient C | -9.94900e-04 | |||
| Coefficient D | 2.19460e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 382.55 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 475.94 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 559.40 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 633.60 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 699.24 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 757.03 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 807.64 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 851.78 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 890.15 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 923.42 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentanamide, N,N-dihexyl-.
Sources
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