- InChI
- InChI=1S/C20H25NO2/c1-15-5-7-17(8-6-15)20(13-14-21(3)4)18-9-11-19(12-10-18)23-16(2)22/h5-12,20H,13-14H2,1-4H3
- InChI Key
- UFRWHKUADVBYMC-UHFFFAOYSA-N
- Formula
- C20H25NO2
- SMILES
-
CC(=O)Oc1ccc(C(CCN(C)C)c2ccc(C
)cc2)cc1 - Molecular Weight1
- 311.42
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 197.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -188.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.80 | kJ/mol | Joback Calculated Property |
| log10WS | -4.57 | Crippen Calculated Property | |
| logPoct/wat | 4.004 | Crippen Calculated Property | |
| McVol | 262.560 | ml/mol | McGowan Calculated Property |
| Pc | 1660.55 | kPa | Joback Calculated Property |
| Inp | [2230.00; 2230.00] |
|
|
| Inp | 2230.00 | NIST | |
| Inp | 2230.00 | NIST | |
| Tboil | 808.61 | K | Joback Calculated Property |
| Tc | 1029.64 | K | Joback Calculated Property |
| Tfus | 482.67 | K | Joback Calculated Property |
| Vc | 0.976 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [779.30; 863.01] | J/mol×K | [808.61; 1029.64] |
|
| Cp,gas | 779.30 | J/mol×K | 808.61 | Joback Calculated Property |
| Cp,gas | 796.23 | J/mol×K | 845.45 | Joback Calculated Property |
| Cp,gas | 811.89 | J/mol×K | 882.29 | Joback Calculated Property |
| Cp,gas | 826.34 | J/mol×K | 919.12 | Joback Calculated Property |
| Cp,gas | 839.63 | J/mol×K | 955.96 | Joback Calculated Property |
| Cp,gas | 851.84 | J/mol×K | 992.80 | Joback Calculated Property |
| Cp,gas | 863.01 | J/mol×K | 1029.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Tolpropamine M (OH-aryl), acetylated.
Sources
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