- InChI
- InChI=1S/C18H23N/c1-15(14-17-10-6-4-7-11-17)19(3)16(2)18-12-8-5-9-13-18/h4-13,15-16H,14H2,1-3H3
- InChI Key
- YMFGDVWZZYVKEP-UHFFFAOYSA-N
- Formula
- C18H23N
- SMILES
- CC(Cc1ccccc1)N(C)C(C)c1ccccc1
- Molecular Weight1
- 253.38
- 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).
- 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 | 0.4767 | Relay (... Calculated Property | |
| ΔfG° | 431.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 148.18 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 26.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.81 | kJ/mol | Relay (... Calculated Property |
| IE | 8.03 | eV | Relay (... Calculated Property |
| log10WS | -2.40 | Relay (... Calculated Property | |
| logPoct/wat | 4.311 | Crippen Calculated Property | |
| McVol | 226.940 | ml/mol | McGowan Calculated Property |
| Pc | 1940.65 | kPa | Joback Calculated Property |
| Inp | [1847.00; 1855.00] |
|
|
| Inp | 1847.00 | NIST | |
| Inp | 1855.00 | NIST | |
| Inp | 1847.00 | NIST | |
| Tboil | 597.90 | K | Relay (... Calculated Property |
| Tc | 829.60 | K | Relay (... Calculated Property |
| Tfus | 308.27 | K | Relay (... Calculated Property |
| Vc | 0.812 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [618.60; 719.23] | J/mol×K | [676.16; 903.13] |
|
| Cp,gas | 618.60 | J/mol×K | 676.16 | Joback Calculated Property |
| Cp,gas | 638.74 | J/mol×K | 713.99 | Joback Calculated Property |
| Cp,gas | 657.41 | J/mol×K | 751.82 | Joback Calculated Property |
| Cp,gas | 674.70 | J/mol×K | 789.64 | Joback Calculated Property |
| Cp,gas | 690.70 | J/mol×K | 827.47 | Joback Calculated Property |
| Cp,gas | 705.52 | J/mol×K | 865.30 | Joback Calculated Property |
| Cp,gas | 719.23 | J/mol×K | 903.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-methyl-N-(1-phenylethyl)-benzenethanamine, N-methyl.
Sources
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