- InChI
- InChI=1S/C16H14O5/c1-20-16-11(18)8-13-14(15(16)19)10(17)7-12(21-13)9-5-3-2-4-6-9/h2-6,8,12,18-19H,7H2,1H3
- InChI Key
- QUAPPCXFYKSDSV-UHFFFAOYSA-N
- Formula
- C16H14O5
- SMILES
-
COc1c(O)cc2c(c1O)C(=O)CC(c1ccc
cc1)O2 - Molecular Weight1
- 286.28
- CAS
- 18956-18-8
- 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° | -284.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -613.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.37 | kJ/mol | Joback Calculated Property |
| log10WS | -3.44 | Crippen Calculated Property | |
| logPoct/wat | 2.813 | Crippen Calculated Property | |
| McVol | 202.970 | ml/mol | McGowan Calculated Property |
| Pc | 3628.97 | kPa | Joback Calculated Property |
| Inp | [2762.30; 2762.30] |
|
|
| Inp | 2762.30 | NIST | |
| Inp | 2762.30 | NIST | |
| Tboil | 918.24 | K | Joback Calculated Property |
| Tc | 1187.19 | K | Joback Calculated Property |
| Tfus | 702.84 | K | Joback Calculated Property |
| Vc | 0.642 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [640.24; 720.28] | J/mol×K | [918.24; 1187.19] |
|
| Cp,gas | 640.24 | J/mol×K | 918.24 | Joback Calculated Property |
| Cp,gas | 654.09 | J/mol×K | 963.06 | Joback Calculated Property |
| Cp,gas | 667.49 | J/mol×K | 1007.89 | Joback Calculated Property |
| Cp,gas | 680.63 | J/mol×K | 1052.71 | Joback Calculated Property |
| Cp,gas | 693.68 | J/mol×K | 1097.54 | Joback Calculated Property |
| Cp,gas | 706.84 | J/mol×K | 1142.36 | Joback Calculated Property |
| Cp,gas | 720.28 | J/mol×K | 1187.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dihydrooroxylin A.
Sources
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