- InChI
- InChI=1S/C24H19F14NO4/c1-12(2)39(17(40)19(25,26)21(29,30)23(33,34)35)10-14(43-18(41)20(27,28)22(31,32)24(36,37)38)11-42-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14H,10-11H2,1-2H3
- InChI Key
- XBHHNHGLKOIVNW-UHFFFAOYSA-N
- Formula
- C24H19F14NO4
- SMILES
-
CC(C)N(CC(COc1cccc2ccccc12)OC(
=O)C(F)(F)C(F)(F)C(F)(F)F)C(=O )C(F)(F)C(F)(F)C(F)(F)F - Molecular Weight1
- 651.39
- 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 | 0.9584 | Relay (1.0) Calculated Property | |
| ΔfG° | -2711.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3525.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.033 | Crippen Calculated Property | |
| McVol | 355.440 | ml/mol | McGowan Calculated Property |
| Pc | 880.00 | kPa | Joback Calculated Property |
| Inp | 2133.00 | NIST | |
| Tboil | 676.03 | K | Relay (1.0) Calculated Property |
| Tc | 834.38 | K | Relay (1.0) Calculated Property |
| Tfus | 351.26 | K | Relay (1.0) Calculated Property |
| Vc | 1.330 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1183.98; 1254.14] | J/mol×K | [933.70; 1145.21] | 
|
| Cp,gas | 1183.98 | J/mol×K | 933.70 | Joback Calculated Property |
| Cp,gas | 1196.55 | J/mol×K | 968.95 | Joback Calculated Property |
| Cp,gas | 1208.50 | J/mol×K | 1004.20 | Joback Calculated Property |
| Cp,gas | 1220.03 | J/mol×K | 1039.46 | Joback Calculated Property |
| Cp,gas | 1231.34 | J/mol×K | 1074.71 | Joback Calculated Property |
| Cp,gas | 1242.65 | J/mol×K | 1109.96 | Joback Calculated Property |
| Cp,gas | 1254.14 | J/mol×K | 1145.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to propranolol, HFB.
Sources
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