- InChI
- InChI=1S/C20H27N/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20/h3-8,11-14H,2,9-10,15-18H2,1H3
- InChI Key
- ZPFXAOWNKLFJDN-UHFFFAOYSA-N
- Formula
- C20H27N
- SMILES
- CCN(CCCc1ccccc1)CCCc1ccccc1
- Molecular Weight1
- 281.44
- CAS
- 150-59-4
- Other Names
-
- Benzenepropanamine, N-ethyl-N-(3-phenylpropyl)-
- Bis(«gamma»-phenylpropyl)ethylamine
- Dipropylamine, N-ethyl-3,3'-diphenyl-
- Dipropylin
- Dipropyline
- N-Ethyl-3,3'-diphenyldipropylamine
- N-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-amine
- N-ethyl-N-(3-phenylpropyl)-benzenepropanamine
- Phenopropamine
- Phenpropamine
- Profenil
- Sestron
- Sestron base
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 | 0.6748 | Relay (1.0) Calculated Property | |
| ΔfG° | 453.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 97.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.574 | Crippen Calculated Property | |
| McVol | 255.120 | ml/mol | McGowan Calculated Property |
| Pc | 1628.54 | kPa | Joback Calculated Property |
| Inp | [2137.00; 2145.00] |
|
|
| Inp | 2137.00 | NIST | |
| Inp | 2145.00 | NIST | |
| Inp | 2142.00 | NIST | |
| Inp | 2142.00 | NIST | |
| Tboil | 641.33 | K | Relay (1.0) Calculated Property |
| Tc | 838.66 | K | Relay (1.0) Calculated Property |
| Tfus | 272.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.937 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 89.30 | kJ/mol | 298.00 | Evaluation of the Vaporization Enthalpies and Liquid Vapor Pressures of (R)-Deprenyl, (S)-Benzphetamine, Alverine, and a Series of Aliphatic Tertiary Amines by Correlation Gas Chromatography at T/K = 298.15 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [330.75; 852.13] | 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 | -9.37930e+01 | |||
| Coefficient B | 1.86992e+00 | |||
| Coefficient C | -1.23920e-03 | |||
| Coefficient D | 3.15200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 330.75 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 426.60 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 510.65 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 583.88 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 647.31 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 701.92 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 748.70 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 788.67 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 822.81 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 852.13 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Alverine.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Evaluation of the Vaporization Enthalpies and Liquid Vapor Pressures of (R)-Deprenyl, (S)-Benzphetamine, Alverine, and a Series of Aliphatic Tertiary Amines by Correlation Gas Chromatography at T/K = 298.15
- Joback Method
- McGowan Method
- NIST Webbook
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