- InChI
- InChI=1S/C20H41NO/c1-5-7-9-11-13-15-17-21(20(22)19(3)4)18-16-14-12-10-8-6-2/h19H,5-18H2,1-4H3
- InChI Key
- BJAXAJXLQZSAMF-UHFFFAOYSA-N
- Formula
- C20H41NO
- SMILES
- CCCCCCCCN(CCCCCCCC)C(=O)C(C)C
- Molecular Weight1
- 311.55
- 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 | -576.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.99 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.192 | Crippen Calculated Property | |
| McVol | 304.210 | ml/mol | McGowan Calculated Property |
| Inp | [2157.00; 2157.00] |
|
|
| Inp | 2157.00 | NIST | |
| Inp | 2157.00 | NIST | |
| Tboil | 586.29 | K | Relay (1.0) Calculated Property |
| Tfus | 289.67 | 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 | [445.88; 1078.73] | 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 | -2.03060e+01 | |||
| Coefficient B | 2.00568e+00 | |||
| Coefficient C | -1.16130e-03 | |||
| Coefficient D | 2.54660e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 445.88 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 555.19 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 652.87 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 739.73 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 816.58 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 884.21 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 943.44 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 995.07 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1039.89 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1078.73 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N,N-dioctyl-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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