- InChI
- InChI=1S/C18H20O6/c1-20-13-7-6-11(8-14(13)21-2)17(19)12-9-15(22-3)18(24-5)16(10-12)23-4/h6-10H,1-5H3
- InChI Key
- LEGVQFQAMCUMQW-UHFFFAOYSA-N
- Formula
- C18H20O6
- SMILES
-
COc1ccc(C(=O)c2cc(OC)c(OC)c(OC
)c2)cc1OC - Molecular Weight1
- 332.35
- CAS
- 22699-97-4
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.9382 | Relay (... Calculated Property | |
| ΔfG° | -376.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -689.60 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 36.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.51 | kJ/mol | Relay (... Calculated Property |
| IE | 7.95 | eV | Relay (... Calculated Property |
| log10WS | -3.72 | Relay (... Calculated Property | |
| logPoct/wat | 2.961 | Crippen Calculated Property | |
| McVol | 247.880 | ml/mol | McGowan Calculated Property |
| Pc | 1763.93 | kPa | Joback Calculated Property |
| Tboil | 668.45 | K | Relay (... Calculated Property |
| Tc | 923.86 | K | Relay (... Calculated Property |
| Tfus | 414.50 | K | Relay (... Calculated Property |
| Vc | 0.925 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [731.66; 791.90] | J/mol×K | [855.47; 1076.56] | 
|
| Cp,gas | 731.66 | J/mol×K | 855.47 | Joback Calculated Property |
| Cp,gas | 745.39 | J/mol×K | 892.32 | Joback Calculated Property |
| Cp,gas | 757.70 | J/mol×K | 929.17 | Joback Calculated Property |
| Cp,gas | 768.55 | J/mol×K | 966.01 | Joback Calculated Property |
| Cp,gas | 777.90 | J/mol×K | 1002.86 | Joback Calculated Property |
| Cp,gas | 785.70 | J/mol×K | 1039.71 | Joback Calculated Property |
| Cp,gas | 791.90 | J/mol×K | 1076.56 | Joback Calculated Property |
| η | [0.0000346; 0.0001664] | Pa×s | [569.14; 855.47] |
|
| η | 0.0001664 | Pa×s | 569.14 | Joback Calculated Property |
| η | 0.0001157 | Pa×s | 616.86 | Joback Calculated Property |
| η | 0.0000848 | Pa×s | 664.58 | Joback Calculated Property |
| η | 0.0000648 | Pa×s | 712.31 | Joback Calculated Property |
| η | 0.0000512 | Pa×s | 760.03 | Joback Calculated Property |
| η | 0.0000416 | Pa×s | 807.75 | Joback Calculated Property |
| η | 0.0000346 | Pa×s | 855.47 | Joback Calculated Property |
Similar Compounds
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Sources
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