- InChI
- InChI=1S/C20H22O7/c1-23-13-9-6-12(7-10-13)8-11-14(21)15-16(22)18(25-3)20(27-5)19(26-4)17(15)24-2/h6-11,22H,1-5H3/b11-8+
- InChI Key
- QRPYDMCAHJUWOJ-DHZHZOJOSA-N
- Formula
- C20H22O7
- SMILES
-
COc1ccc(C=CC(=O)c2c(O)c(OC)c(O
C)c(OC)c2OC)cc1 - Molecular Weight1
- 374.38
- CAS
- 50461-90-0
- 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° | -434.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -874.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.74 | kJ/mol | Joback Calculated Property |
| log10WS | -4.33 | Crippen Calculated Property | |
| logPoct/wat | 3.331 | Crippen Calculated Property | |
| McVol | 277.630 | ml/mol | McGowan Calculated Property |
| Pc | 1777.34 | kPa | Joback Calculated Property |
| Inp | [3045.50; 3045.50] |
|
|
| Inp | 3045.50 | NIST | |
| Inp | 3045.50 | NIST | |
| Tboil | 986.01 | K | Joback Calculated Property |
| Tc | 1220.07 | K | Joback Calculated Property |
| Tfus | 698.32 | K | Joback Calculated Property |
| Vc | 0.982 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [867.75; 922.64] | J/mol×K | [986.01; 1220.07] |
|
| Cp,gas | 867.75 | J/mol×K | 986.01 | Joback Calculated Property |
| Cp,gas | 879.90 | J/mol×K | 1025.02 | Joback Calculated Property |
| Cp,gas | 890.82 | J/mol×K | 1064.03 | Joback Calculated Property |
| Cp,gas | 900.54 | J/mol×K | 1103.04 | Joback Calculated Property |
| Cp,gas | 909.07 | J/mol×K | 1142.05 | Joback Calculated Property |
| Cp,gas | 916.43 | J/mol×K | 1181.06 | Joback Calculated Property |
| Cp,gas | 922.64 | J/mol×K | 1220.07 | Joback Calculated Property |
| η | [0.0000008; 0.0000075] | Pa×s | [698.32; 986.01] |
|
| η | 0.0000075 | Pa×s | 698.32 | Joback Calculated Property |
| η | 0.0000046 | Pa×s | 746.27 | Joback Calculated Property |
| η | 0.0000030 | Pa×s | 794.22 | Joback Calculated Property |
| η | 0.0000020 | Pa×s | 842.17 | Joback Calculated Property |
| η | 0.0000014 | Pa×s | 890.11 | Joback Calculated Property |
| η | 0.0000011 | Pa×s | 938.06 | Joback Calculated Property |
| η | 0.0000008 | Pa×s | 986.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Chalcone, 2'-hydroxy-3',4,4',5',6'-pentamethoxy-.
Sources
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