- InChI
- InChI=1S/C21H20O2/c1-17-12-13-20(22-15-18-8-4-2-5-9-18)21(14-17)23-16-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3
- InChI Key
- JQAYGWDEFAVMCJ-UHFFFAOYSA-N
- Formula
- C21H20O2
- SMILES
-
Cc1ccc(OCc2ccccc2)c(OCc2ccccc2
)c1 - Molecular Weight1
- 304.38
- CAS
- 4790-00-5
- 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 | 0.7187 | Relay (1.0) Calculated Property | |
| ΔfG° | 233.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -19.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.153 | Crippen Calculated Property | |
| McVol | 247.210 | ml/mol | McGowan Calculated Property |
| Pc | 1882.17 | kPa | Joback Calculated Property |
| Tboil | 665.58 | K | Relay (1.0) Calculated Property |
| Tc | 945.46 | K | Relay (1.0) Calculated Property |
| Tfus | 343.20 | K | Relay (1.0) Calculated Property |
| Vc | 0.918 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [713.37; 792.94] | J/mol×K | [814.72; 1059.61] | 
|
| Cp,gas | 713.37 | J/mol×K | 814.72 | Joback Calculated Property |
| Cp,gas | 730.22 | J/mol×K | 855.53 | Joback Calculated Property |
| Cp,gas | 745.55 | J/mol×K | 896.35 | Joback Calculated Property |
| Cp,gas | 759.42 | J/mol×K | 937.16 | Joback Calculated Property |
| Cp,gas | 771.90 | J/mol×K | 977.98 | Joback Calculated Property |
| Cp,gas | 783.06 | J/mol×K | 1018.79 | Joback Calculated Property |
| Cp,gas | 792.94 | J/mol×K | 1059.61 | Joback Calculated Property |
| η | [0.0000536; 0.0004930] | Pa×s | [475.19; 814.72] |
|
| η | 0.0004930 | Pa×s | 475.19 | Joback Calculated Property |
| η | 0.0002798 | Pa×s | 531.78 | Joback Calculated Property |
| η | 0.0001770 | Pa×s | 588.37 | Joback Calculated Property |
| η | 0.0001214 | Pa×s | 644.96 | Joback Calculated Property |
| η | 0.0000885 | Pa×s | 701.54 | Joback Calculated Property |
| η | 0.0000676 | Pa×s | 758.13 | Joback Calculated Property |
| η | 0.0000536 | Pa×s | 814.72 | Joback Calculated Property |
Similar Compounds
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Sources
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