- InChI
- InChI=1S/C22H22O6/c1-16(23)26-13-6-14-27-22-12-10-19(28-17(2)24)15-20(22)21(25)11-9-18-7-4-3-5-8-18/h3-8,10,12,14-15H,9,11,13H2,1-2H3/b14-6+
- InChI Key
- PPJPAFBMLKJYTF-MKMNVTDBSA-N
- Formula
- C22H22O6
- SMILES
-
CC(=O)OCC=COc1ccc(OC(C)=O)cc1C
(=O)CCc1ccccc1 - Molecular Weight1
- 382.41
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | -281.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -664.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.87 | kJ/mol | Joback Calculated Property |
| log10WS | -5.48 | Crippen Calculated Property | |
| logPoct/wat | 3.883 | Crippen Calculated Property | |
| McVol | 291.340 | ml/mol | McGowan Calculated Property |
| Pc | 1589.81 | kPa | Joback Calculated Property |
| Inp | [2950.00; 2950.00] |
|
|
| Inp | 2950.00 | NIST | |
| Inp | 2950.00 | NIST | |
| Tboil | 999.11 | K | Joback Calculated Property |
| Tc | 1234.00 | K | Joback Calculated Property |
| Tfus | 626.98 | K | Joback Calculated Property |
| Vc | 1.103 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [902.91; 947.55] | J/mol×K | [999.11; 1234.00] |
|
| Cp,gas | 902.91 | J/mol×K | 999.11 | Joback Calculated Property |
| Cp,gas | 913.75 | J/mol×K | 1038.26 | Joback Calculated Property |
| Cp,gas | 923.18 | J/mol×K | 1077.41 | Joback Calculated Property |
| Cp,gas | 931.24 | J/mol×K | 1116.56 | Joback Calculated Property |
| Cp,gas | 937.96 | J/mol×K | 1155.71 | Joback Calculated Property |
| Cp,gas | 943.38 | J/mol×K | 1194.85 | Joback Calculated Property |
| Cp,gas | 947.55 | J/mol×K | 1234.00 | Joback Calculated Property |
| η | [0.0000270; 0.0002067] | Pa×s | [626.98; 999.11] |
|
| η | 0.0002067 | Pa×s | 626.98 | Joback Calculated Property |
| η | 0.0001264 | Pa×s | 689.00 | Joback Calculated Property |
| η | 0.0000838 | Pa×s | 751.02 | Joback Calculated Property |
| η | 0.0000592 | Pa×s | 813.05 | Joback Calculated Property |
| η | 0.0000439 | Pa×s | 875.07 | Joback Calculated Property |
| η | 0.0000339 | Pa×s | 937.09 | Joback Calculated Property |
| η | 0.0000270 | Pa×s | 999.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to PROPAFENONE-H2O, M(DESAMINO-DI-IIO-), AC.
Sources
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