- InChI
- InChI=1S/C32H37N/c1-32(2,3)30-19-17-26(18-20-30)12-10-11-23-33-24-21-29(22-25-33)31(27-13-6-4-7-14-27)28-15-8-5-9-16-28/h4-10,12-20H,11,21-25H2,1-3H3/b12-10-
- InChI Key
- XTBJPNHHVAIUJX-BENRWUELSA-N
- Formula
- C32H37N
- SMILES
-
CC(C)(C)c1ccc(C=CCCN2CCC(=C(c3
ccccc3)c3ccccc3)CC2)cc1 - Molecular Weight1
- 435.64
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.7400 | Relay (1.0) Calculated Property | |
| ΔfG° | 595.01 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 301.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 139.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.985 | Crippen Calculated Property | |
| McVol | 380.980 | ml/mol | McGowan Calculated Property |
| Pc | 584.79 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 3460.00 | NIST | |
| Tboil | 768.42 | K | Relay (1.0) Calculated Property |
| Tc | 1056.23 | K | Relay (1.0) Calculated Property |
| Tfus | 404.55 | K | Relay (1.0) Calculated Property |
| Vc | 1.342 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Terfenadine M (-2H2O).
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
- McGowan Method
- NIST Webbook
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