- InChI
- InChI=1S/C20H22O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(27-14)10-17(24-3)19(25-4)20(18)26-5/h6-8,10,14H,9H2,1-5H3
- InChI Key
- HFKPIRGXRKMHJS-UHFFFAOYSA-N
- Formula
- C20H22O7
- SMILES
-
COc1ccc(C2CC(=O)c3c(cc(OC)c(OC
)c3OC)O2)cc1OC - Molecular Weight1
- 374.38
- CAS
- 66074-98-4
- 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° | -400.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -916.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.53 | kJ/mol | Joback Calculated Property |
| log10WS | -4.82 | Crippen Calculated Property | |
| logPoct/wat | 3.436 | Crippen Calculated Property | |
| McVol | 271.070 | ml/mol | McGowan Calculated Property |
| Pc | 1639.10 | kPa | Joback Calculated Property |
| Inp | [3059.20; 3059.20] |
|
|
| Inp | 3059.20 | NIST | |
| Inp | 3059.20 | NIST | |
| Tboil | 958.12 | K | Joback Calculated Property |
| Tc | 1194.20 | K | Joback Calculated Property |
| Tfus | 663.48 | K | Joback Calculated Property |
| Vc | 1.006 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [875.66; 915.62] | J/mol×K | [958.12; 1194.20] |
|
| Cp,gas | 875.66 | J/mol×K | 958.12 | Joback Calculated Property |
| Cp,gas | 887.81 | J/mol×K | 997.47 | Joback Calculated Property |
| Cp,gas | 897.86 | J/mol×K | 1036.81 | Joback Calculated Property |
| Cp,gas | 905.73 | J/mol×K | 1076.16 | Joback Calculated Property |
| Cp,gas | 911.37 | J/mol×K | 1115.51 | Joback Calculated Property |
| Cp,gas | 914.69 | J/mol×K | 1154.85 | Joback Calculated Property |
| Cp,gas | 915.62 | J/mol×K | 1194.20 | Joback Calculated Property |
Similar Compounds
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Sources
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