- InChI
- InChI=1S/C17H16O4/c1-19-12-8-15(20-2)17-13(18)10-14(21-16(17)9-12)11-6-4-3-5-7-11/h3-9,14H,10H2,1-2H3
- InChI Key
- IAFBOKYTDSDNHV-UHFFFAOYSA-N
- Formula
- C17H16O4
- SMILES
-
COc1cc(OC)c2c(c1)OC(c1ccccc1)C
C2=O - Molecular Weight1
- 284.31
- CAS
- 1036-72-2
- Other Names
-
- Flavanone, 5,7-dimethoxy-
- 5,7-Dimethoxyflavanone
- 5,7-Dimethoxy-2-phenylchroman-4-one
- 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° | -81.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -423.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.64 | kJ/mol | Joback Calculated Property |
| log10WS | -4.46 | Crippen Calculated Property | |
| logPoct/wat | 3.410 | Crippen Calculated Property | |
| McVol | 211.190 | ml/mol | McGowan Calculated Property |
| Pc | 2298.11 | kPa | Joback Calculated Property |
| Inp | [2570.90; 2570.90] |
|
|
| Inp | 2570.90 | NIST | |
| Inp | 2570.90 | NIST | |
| Tboil | 807.28 | K | Joback Calculated Property |
| Tc | 1057.67 | K | Joback Calculated Property |
| Tfus | 525.42 | K | Joback Calculated Property |
| Vc | 0.784 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [626.62; 699.19] | J/mol×K | [807.28; 1057.67] |
|
| Cp,gas | 626.62 | J/mol×K | 807.28 | Joback Calculated Property |
| Cp,gas | 642.56 | J/mol×K | 849.01 | Joback Calculated Property |
| Cp,gas | 656.96 | J/mol×K | 890.74 | Joback Calculated Property |
| Cp,gas | 669.81 | J/mol×K | 932.48 | Joback Calculated Property |
| Cp,gas | 681.14 | J/mol×K | 974.21 | Joback Calculated Property |
| Cp,gas | 690.93 | J/mol×K | 1015.94 | Joback Calculated Property |
| Cp,gas | 699.19 | J/mol×K | 1057.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dimethoxy-2-phenyl-.
Sources
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