- InChI
- InChI=1S/C19H39NO/c1-5-7-9-11-13-15-17-20(19(21)18(3)4)16-14-12-10-8-6-2/h18H,5-17H2,1-4H3
- InChI Key
- WQWFHJBKCSBTFW-UHFFFAOYSA-N
- Formula
- C19H39NO
- SMILES
- CCCCCCCCN(CCCCCCC)C(=O)C(C)C
- Molecular Weight1
- 297.52
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -555.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.04 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.802 | Crippen Calculated Property | |
| McVol | 290.120 | ml/mol | McGowan Calculated Property |
| Inp | 2061.00 | NIST | |
| Tboil | 579.02 | K | Relay (1.0) Calculated Property |
| Tfus | 280.37 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [424.66; 1027.14] | 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 | -1.93970e+01 | |||
| Coefficient B | 1.91068e+00 | |||
| Coefficient C | -1.10690e-03 | |||
| Coefficient D | 2.42760e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 424.66 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 528.77 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 621.80 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 704.51 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 777.67 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 842.05 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 898.42 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 947.55 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 990.20 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1027.14 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N-heptyl-N-octyl-2-methyl-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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