- InChI
- InChI=1S/C20H20O4/c1-3-15-9-5-7-11-17(15)23-19(21)13-14-20(22)24-18-12-8-6-10-16(18)4-2/h5-14H,3-4H2,1-2H3/b14-13+
- InChI Key
- REHWMOHIUJQLAP-BUHFOSPRSA-N
- Formula
- C20H20O4
- SMILES
-
CCc1ccccc1OC(=O)C=CC(=O)Oc1ccc
cc1CC - Molecular Weight1
- 324.37
- 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° | -64.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -378.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.26 | kJ/mol | Joback Calculated Property |
| log10WS | -5.21 | Crippen Calculated Property | |
| logPoct/wat | 3.879 | Crippen Calculated Property | |
| McVol | 255.720 | ml/mol | McGowan Calculated Property |
| Pc | 1792.42 | kPa | Joback Calculated Property |
| Inp | 2455.00 | NIST | |
| Tboil | 877.06 | K | Joback Calculated Property |
| Tc | 1107.75 | K | Joback Calculated Property |
| Tfus | 532.28 | K | Joback Calculated Property |
| Vc | 0.968 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [752.87; 817.84] | J/mol×K | [877.06; 1107.75] | 
|
| Cp,gas | 752.87 | J/mol×K | 877.06 | Joback Calculated Property |
| Cp,gas | 766.57 | J/mol×K | 915.51 | Joback Calculated Property |
| Cp,gas | 779.05 | J/mol×K | 953.96 | Joback Calculated Property |
| Cp,gas | 790.37 | J/mol×K | 992.41 | Joback Calculated Property |
| Cp,gas | 800.57 | J/mol×K | 1030.85 | Joback Calculated Property |
| Cp,gas | 809.71 | J/mol×K | 1069.30 | Joback Calculated Property |
| Cp,gas | 817.84 | J/mol×K | 1107.75 | Joback Calculated Property |
| η | [0.0000498; 0.0004152] | Pa×s | [532.28; 877.06] |
|
| η | 0.0004152 | Pa×s | 532.28 | Joback Calculated Property |
| η | 0.0002455 | Pa×s | 589.74 | Joback Calculated Property |
| η | 0.0001593 | Pa×s | 647.21 | Joback Calculated Property |
| η | 0.0001110 | Pa×s | 704.67 | Joback Calculated Property |
| η | 0.0000816 | Pa×s | 762.13 | Joback Calculated Property |
| η | 0.0000627 | Pa×s | 819.60 | Joback Calculated Property |
| η | 0.0000498 | Pa×s | 877.06 | Joback Calculated Property |
Similar Compounds
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Sources
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