- InChI
- InChI=1S/C21H19F14NO4/c1-10(2)36(14(37)16(22,23)18(26,27)20(30,31)32)8-13(9-39-12-6-4-5-11(3)7-12)40-15(38)17(24,25)19(28,29)21(33,34)35/h4-7,10,13H,8-9H2,1-3H3
- InChI Key
- WZLIKHISFPDOOW-UHFFFAOYSA-N
- Formula
- C21H19F14NO4
- SMILES
-
Cc1cccc(OCC(CN(C(=O)C(F)(F)C(F
)(F)C(F)(F)F)C(C)C)OC(=O)C(F)( F)C(F)(F)C(F)(F)F)c1 - Molecular Weight1
- 615.36
- 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° | -2843.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3482.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.64 | kJ/mol | Joback Calculated Property |
| log10WS | -7.52 | Crippen Calculated Property | |
| logPoct/wat | 6.188 | Crippen Calculated Property | |
| McVol | 332.630 | ml/mol | McGowan Calculated Property |
| Pc | 902.89 | kPa | Joback Calculated Property |
| Inp | 1748.00 | NIST | |
| Tboil | 846.08 | K | Joback Calculated Property |
| Tc | 1036.08 | K | Joback Calculated Property |
| Tfus | 534.94 | K | Joback Calculated Property |
| Vc | 1.343 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1088.84; 1153.73] | J/mol×K | [846.08; 1036.08] | 
|
| Cp,gas | 1088.84 | J/mol×K | 846.08 | Joback Calculated Property |
| Cp,gas | 1101.60 | J/mol×K | 877.75 | Joback Calculated Property |
| Cp,gas | 1113.41 | J/mol×K | 909.41 | Joback Calculated Property |
| Cp,gas | 1124.41 | J/mol×K | 941.08 | Joback Calculated Property |
| Cp,gas | 1134.71 | J/mol×K | 972.75 | Joback Calculated Property |
| Cp,gas | 1144.44 | J/mol×K | 1004.42 | Joback Calculated Property |
| Cp,gas | 1153.73 | J/mol×K | 1036.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Toliprolol, HFB.
Sources
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