- InChI
- InChI=1S/C20H27N/c1-16(21-20(2,3)4)15-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19,21H,15H2,1-4H3
- InChI Key
- UISARWKNNNHPGI-UHFFFAOYSA-N
- Formula
- C20H27N
- SMILES
-
CC(CC(c1ccccc1)c1ccccc1)NC(C)(
C)C - Molecular Weight1
- 281.44
- CAS
- 15793-40-5
- Other Names
-
- Benzenepropanamine, N-(1,1-dimethylethyl)-«alpha»-methyl-«gamma»-phenyl-
- Propylamine, N-tert-butyl-1-methyl-3,3-diphenyl-
- Bicor
- N-tert-Butyl-1-methyl-3,3-diphenylpropylamine
- 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 | 0.5490 | Relay (1.0) Calculated Property | |
| ΔfG° | 429.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 44.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.985 | Crippen Calculated Property | |
| McVol | 255.120 | ml/mol | McGowan Calculated Property |
| Pc | 1696.30 | kPa | Joback Calculated Property |
| Inp | 1908.00 | NIST | |
| Tboil | 611.17 | K | Relay (1.0) Calculated Property |
| Tc | 852.31 | K | Relay (1.0) Calculated Property |
| Tfus | 315.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.907 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [751.43; 849.79] | J/mol×K | [756.42; 988.78] | 
|
| Cp,gas | 751.43 | J/mol×K | 756.42 | Joback Calculated Property |
| Cp,gas | 771.13 | J/mol×K | 795.15 | Joback Calculated Property |
| Cp,gas | 789.34 | J/mol×K | 833.87 | Joback Calculated Property |
| Cp,gas | 806.18 | J/mol×K | 872.60 | Joback Calculated Property |
| Cp,gas | 821.79 | J/mol×K | 911.33 | Joback Calculated Property |
| Cp,gas | 836.28 | J/mol×K | 950.05 | Joback Calculated Property |
| Cp,gas | 849.79 | J/mol×K | 988.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terodiline.
Sources
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