- InChI
- InChI=1S/C17H19NO/c19-17(16-12-7-13-18-16,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16,18-19H,7,12-13H2/t16-/m1/s1
- InChI Key
- OGCGXUGBDJGFFY-MRXNPFEDSA-N
- Formula
- C17H19NO
- SMILES
- OC(c1ccccc1)(c1ccccc1)C1CCCN1
- Molecular Weight1
- 253.34
- CAS
- 112068-01-6
- Other Names
-
- 2-Pyrrolidinemethanol, «alpha»,«alpha»-diphenyl-, (2S)-
- S -(-)- alpha , alpha -diphenyl-2-pyrrolidine methanol
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 307.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 16.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.39 | kJ/mol | Joback Calculated Property |
| log10WS | -3.87 | Crippen Calculated Property | |
| logPoct/wat | 2.675 | Crippen Calculated Property | |
| McVol | 207.860 | ml/mol | McGowan Calculated Property |
| Pc | 2853.57 | kPa | Joback Calculated Property |
| Tboil | 794.50 | K | Joback Calculated Property |
| Tc | 1043.81 | K | Joback Calculated Property |
| Tfus | 513.36 | K | Joback Calculated Property |
| Vc | 0.757 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [626.37; 705.18] | J/mol×K | [794.50; 1043.81] | 
|
| Cp,gas | 626.37 | J/mol×K | 794.50 | Joback Calculated Property |
| Cp,gas | 642.51 | J/mol×K | 836.05 | Joback Calculated Property |
| Cp,gas | 657.26 | J/mol×K | 877.60 | Joback Calculated Property |
| Cp,gas | 670.76 | J/mol×K | 919.15 | Joback Calculated Property |
| Cp,gas | 683.15 | J/mol×K | 960.70 | Joback Calculated Property |
| Cp,gas | 694.58 | J/mol×K | 1002.25 | Joback Calculated Property |
| Cp,gas | 705.18 | J/mol×K | 1043.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to S-(-)-1,1-Diphenylprolinol.
Sources
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