![Benzeneethanol, «alpha»-[2-(dimethylamino)-1-methylethyl]-«alpha»-phenyl-](/cid/89-508-0/Benzeneethanol-alpha-2-dimethylamino-1-methylethyl-alpha-phenyl.png "Benzeneethanol, «alpha»-[2-(dimethylamino)-1-methylethyl]-«alpha»-phenyl-")
- InChI
- InChI=1S/C19H25NO/c1-16(15-20(2)3)19(21,18-12-8-5-9-13-18)14-17-10-6-4-7-11-17/h4-13,16,21H,14-15H2,1-3H3
- InChI Key
- INTCGJHAECYOBW-UHFFFAOYSA-N
- Formula
- C19H25NO
- SMILES
-
CC(CN(C)C)C(O)(Cc1ccccc1)c1ccc
cc1 - Molecular Weight1
- 283.41
- Other Names
-
- «alpha»-[2-(dimethylamino)-1-methylethyl]-«alpha»-phenylphenethyl alcohol
- Propoxyphene M (des-Ac)
- 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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -18.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.93 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.315 | Crippen Calculated Property | |
| McVol | 246.900 | ml/mol | McGowan Calculated Property |
| Inp | [1898.00; 1964.00] |
|
|
| Inp | 1898.00 | NIST | |
| Inp | 1940.00 | NIST | |
| Inp | 1964.00 | NIST | |
| Tboil | 625.60 | K | Relay (1.0) Calculated Property |
| Tfus | 389.30 | 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 | [320.27; 821.21] | 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 | -1.13748e+02 | |||
| Coefficient B | 1.94066e+00 | |||
| Coefficient C | -1.39020e-03 | |||
| Coefficient D | 3.84500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 320.27 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 415.84 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 498.61 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 569.77 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 630.54 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 682.15 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 725.81 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 762.72 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 794.12 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 821.21 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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