- InChI
- InChI=1S/C17H21N/c1-18(14-12-16-8-4-2-5-9-16)15-13-17-10-6-3-7-11-17/h2-11H,12-15H2,1H3
- InChI Key
- XVWQQNARVMHZBP-UHFFFAOYSA-N
- Formula
- C17H21N
- SMILES
- CN(CCc1ccccc1)CCc1ccccc1
- Molecular Weight1
- 239.36
- CAS
- 13977-33-8
- Other Names
-
- Benzeneethanamine, N-methyl-N-(2-phenylethyl)-
- Diphenethylamine, N-methyl-
- Methphenethamine
- N-Methyl-«beta»,«beta»'-diphenyldiethylamine
- N-Methylbis(2-phenylethyl)amine
- N-Methyldiphenethylamine
- 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).
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.5595 | Relay (1.0) Calculated Property | |
| ΔfG° | 427.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 191.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.404 | Crippen Calculated Property | |
| McVol | 212.850 | ml/mol | McGowan Calculated Property |
| Pc | 2085.03 | kPa | Joback Calculated Property |
| Tboil | 605.86 | K | Relay (1.0) Calculated Property |
| Tc | 818.71 | K | Relay (1.0) Calculated Property |
| Tfus | 315.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.788 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [563.52; 659.65] | J/mol×K | [654.16; 876.39] | 
|
| Cp,gas | 563.52 | J/mol×K | 654.16 | Joback Calculated Property |
| Cp,gas | 582.66 | J/mol×K | 691.20 | Joback Calculated Property |
| Cp,gas | 600.44 | J/mol×K | 728.24 | Joback Calculated Property |
| Cp,gas | 616.95 | J/mol×K | 765.28 | Joback Calculated Property |
| Cp,gas | 632.26 | J/mol×K | 802.32 | Joback Calculated Property |
| Cp,gas | 646.46 | J/mol×K | 839.36 | Joback Calculated Property |
| Cp,gas | 659.65 | J/mol×K | 876.39 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 465.70 | K | 2.40 | NIST |
Similar Compounds
Find more compounds similar to Demelverine.
Sources
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