- InChI
- InChI=1S/C20H20O4/c1-4-5-13-8-15-12(2)19(24-20(15)18(9-13)21-3)14-6-7-16-17(10-14)23-11-22-16/h4-10,12,19H,11H2,1-3H3/b5-4+
- InChI Key
- DMMQXURQRMNSBM-SNAWJCMRSA-N
- Formula
- C20H20O4
- SMILES
-
CC=Cc1cc(OC)c2c(c1)C(C)C(c1ccc
3c(c1)OCO3)O2 - Molecular Weight1
- 324.37
- CAS
- 51020-87-2
- 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).
- 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° | 132.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -305.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.70 | kJ/mol | Joback Calculated Property |
| log10WS | -5.90 | Crippen Calculated Property | |
| logPoct/wat | 4.694 | Crippen Calculated Property | |
| McVol | 242.600 | ml/mol | McGowan Calculated Property |
| Pc | 1918.62 | kPa | Joback Calculated Property |
| Inp | [2720.00; 2720.00] |
|
|
| Inp | 2720.00 | NIST | |
| Inp | 2720.00 | NIST | |
| Tboil | 856.17 | K | Joback Calculated Property |
| Tc | 1098.11 | K | Joback Calculated Property |
| Tfus | 563.34 | K | Joback Calculated Property |
| Vc | 0.914 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [752.49; 835.29] | J/mol×K | [856.17; 1098.11] |
|
| Cp,gas | 752.49 | J/mol×K | 856.17 | Joback Calculated Property |
| Cp,gas | 768.37 | J/mol×K | 896.49 | Joback Calculated Property |
| Cp,gas | 783.24 | J/mol×K | 936.82 | Joback Calculated Property |
| Cp,gas | 797.25 | J/mol×K | 977.14 | Joback Calculated Property |
| Cp,gas | 810.51 | J/mol×K | 1017.47 | Joback Calculated Property |
| Cp,gas | 823.15 | J/mol×K | 1057.79 | Joback Calculated Property |
| Cp,gas | 835.29 | J/mol×K | 1098.11 | Joback Calculated Property |
| η | [0.0004609; 0.0013347] | Pa×s | [563.34; 856.17] |
|
| η | 0.0013347 | Pa×s | 563.34 | Joback Calculated Property |
| η | 0.0010417 | Pa×s | 612.14 | Joback Calculated Property |
| η | 0.0008433 | Pa×s | 660.95 | Joback Calculated Property |
| η | 0.0007028 | Pa×s | 709.76 | Joback Calculated Property |
| η | 0.0005996 | Pa×s | 758.56 | Joback Calculated Property |
| η | 0.0005215 | Pa×s | 807.37 | Joback Calculated Property |
| η | 0.0004609 | Pa×s | 856.17 | Joback Calculated Property |
Similar Compounds
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Sources
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