- InChI
- InChI=1S/C17H16O5/c1-20-11-5-3-10(4-6-11)15-9-14(19)17-13(18)7-12(21-2)8-16(17)22-15/h3-8,15,18H,9H2,1-2H3
- InChI Key
- CKEXCBVNKRHAMX-UHFFFAOYSA-N
- Formula
- C17H16O5
- SMILES
-
COc1ccc(C2CC(=O)c3c(O)cc(OC)cc
3O2)cc1 - Molecular Weight1
- 300.31
- CAS
- 69097-96-7
- Other Names
-
- 7-Hydroxy-5-methoxy-2-(4-methoxyphenyl)chroman-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° | -236.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -600.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.65 | kJ/mol | Joback Calculated Property |
| log10WS | -4.01 | Crippen Calculated Property | |
| logPoct/wat | 3.116 | Crippen Calculated Property | |
| McVol | 217.060 | ml/mol | McGowan Calculated Property |
| Pc | 2665.27 | kPa | Joback Calculated Property |
| Inp | [2700.10; 2700.10] |
|
|
| Inp | 2700.10 | NIST | |
| Inp | 2700.10 | NIST | |
| Tboil | 887.90 | K | Joback Calculated Property |
| Tc | 1143.78 | K | Joback Calculated Property |
| Tfus | 637.14 | K | Joback Calculated Property |
| Vc | 0.750 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [675.44; 743.10] | J/mol×K | [887.90; 1143.78] |
|
| Cp,gas | 675.44 | J/mol×K | 887.90 | Joback Calculated Property |
| Cp,gas | 689.46 | J/mol×K | 930.55 | Joback Calculated Property |
| Cp,gas | 702.30 | J/mol×K | 973.19 | Joback Calculated Property |
| Cp,gas | 714.02 | J/mol×K | 1015.84 | Joback Calculated Property |
| Cp,gas | 724.68 | J/mol×K | 1058.49 | Joback Calculated Property |
| Cp,gas | 734.35 | J/mol×K | 1101.13 | Joback Calculated Property |
| Cp,gas | 743.10 | J/mol×K | 1143.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Hydroxy-4',7-dimethoxyflavanone.
Sources
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