- InChI
- InChI=1S/C19H23N/c1-16(15-20(2)3)19(18-12-8-5-9-13-18)14-17-10-6-4-7-11-17/h4-14,16H,15H2,1-3H3/b19-14-
- InChI Key
- DXPIDNMXZDVKHC-RGEXLXHISA-N
- Formula
- C19H23N
- SMILES
-
CC(CN(C)C)C(=Cc1ccccc1)c1ccccc
1 - Molecular Weight1
- 265.39
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ΔfusH° | 31.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.56 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.425 | Crippen Calculated Property | |
| McVol | 236.730 | ml/mol | McGowan Calculated Property |
| Inp | 1687.00 | NIST | |
| Tboil | 624.58 | K | Relay (1.0) Calculated Property |
| Tfus | 381.50 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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 | [295.37; 770.22] | 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 | -1.08439e+02 | |||
| Coefficient B | 1.80076e+00 | |||
| Coefficient C | -1.27410e-03 | |||
| Coefficient D | 3.52000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 295.37 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 384.75 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 462.38 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 529.37 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 586.83 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 635.88 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 677.63 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 713.19 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 743.69 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 770.22 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Dextropropoxyphene M (des-Ac, dehydro).
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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