- InChI
- InChI=1S/C23H27NO3/c1-3-16-24(19(2)25)17-9-18-27-23-13-8-7-12-21(23)22(26)15-14-20-10-5-4-6-11-20/h4-13,18H,3,14-17H2,1-2H3/b18-9+
- InChI Key
- PHFPUXKZVRGKNW-GIJQJNRQSA-N
- Formula
- C23H27NO3
- SMILES
-
CCCN(CC=COc1ccccc1C(=O)CCc1ccc
cc1)C(C)=O - Molecular Weight1
- 365.47
- 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).
- 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 | 0.8480 | Relay (... Calculated Property | |
| ΔfG° | 186.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -299.31 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 50.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.71 | kJ/mol | Relay (... Calculated Property |
| IE | 7.86 | eV | Relay (... Calculated Property |
| log10WS | -4.21 | Relay (... Calculated Property | |
| logPoct/wat | 4.653 | Crippen Calculated Property | |
| McVol | 302.100 | ml/mol | McGowan Calculated Property |
| Pc | 1456.79 | kPa | Joback Calculated Property |
| Tboil | 689.41 | K | Relay (... Calculated Property |
| Tc | 940.25 | K | Relay (... Calculated Property |
| Tfus | 349.90 | K | Relay (... Calculated Property |
| Vc | 1.070 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [943.27; 1017.52] | J/mol×K | [930.74; 1155.87] | 
|
| Cp,gas | 943.27 | J/mol×K | 930.74 | Joback Calculated Property |
| Cp,gas | 958.13 | J/mol×K | 968.26 | Joback Calculated Property |
| Cp,gas | 971.86 | J/mol×K | 1005.78 | Joback Calculated Property |
| Cp,gas | 984.58 | J/mol×K | 1043.31 | Joback Calculated Property |
| Cp,gas | 996.36 | J/mol×K | 1080.83 | Joback Calculated Property |
| Cp,gas | 1007.31 | J/mol×K | 1118.35 | Joback Calculated Property |
| Cp,gas | 1017.52 | J/mol×K | 1155.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to PROPAFENONE-H2O, AC.
Sources
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