- InChI
- InChI=1S/C19H39NO/c1-4-7-10-12-14-17-20(19(21)16-9-6-3)18-15-13-11-8-5-2/h4-18H2,1-3H3
- InChI Key
- OZNLXIWBUUWGSS-UHFFFAOYSA-N
- Formula
- C19H39NO
- SMILES
- CCCCCCCN(CCCCCCC)C(=O)CCCC
- Molecular Weight1
- 297.52
- 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 | 0.8939 | Relay (1.0) Calculated Property | |
| ΔfG° | 90.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -558.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.946 | Crippen Calculated Property | |
| McVol | 290.120 | ml/mol | McGowan Calculated Property |
| Pc | 1125.32 | kPa | Joback Calculated Property |
| Inp | [2115.00; 2115.00] |
|
|
| Inp | 2115.00 | NIST | |
| Inp | 2115.00 | NIST | |
| Tboil | 592.35 | K | Relay (1.0) Calculated Property |
| Tc | 784.96 | K | Relay (1.0) Calculated Property |
| Tfus | 277.84 | K | Relay (1.0) Calculated Property |
| Vc | 1.119 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [424.98; 1026.61] | 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 | -1.77150e+01 | |||
| Coefficient B | 1.90476e+00 | |||
| Coefficient C | -1.10370e-03 | |||
| Coefficient D | 2.43260e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 424.98 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 528.78 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 621.55 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 704.06 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 777.06 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 841.35 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 897.67 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 946.81 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 989.53 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1026.61 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentanamide, N,N-diheptyl-.
Sources
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