- InChI
- InChI=1S/C22H24O5/c1-2-3-7-16-25-21(23)14-15-22(24)26-17-18-10-12-20(13-11-18)27-19-8-5-4-6-9-19/h4-6,8-15H,2-3,7,16-17H2,1H3/b15-14+
- InChI Key
- QQVSOLFHKZZSRK-CCEZHUSRSA-N
- Formula
- C22H24O5
- SMILES
-
CCCCCOC(=O)C=CC(=O)OCc1ccc(Oc2
ccccc2)cc1 - Molecular Weight1
- 368.42
- 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).
- 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 |
|---|---|---|---|
| ω | 0.9504 | Relay (... Calculated Property | |
| ΔfG° | -143.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -667.29 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 47.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.33 | kJ/mol | Relay (... Calculated Property |
| IE | 8.29 | eV | Relay (... Calculated Property |
| log10WS | -5.87 | Relay (... Calculated Property | |
| logPoct/wat | 4.812 | Crippen Calculated Property | |
| McVol | 289.770 | ml/mol | McGowan Calculated Property |
| Pc | 1530.66 | kPa | Joback Calculated Property |
| Inp | 2817.00 | NIST | |
| Tboil | 682.81 | K | Relay (... Calculated Property |
| Tc | 914.26 | K | Relay (... Calculated Property |
| Tfus | 303.63 | K | Relay (... Calculated Property |
| Vc | 1.037 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [896.88; 957.24] | J/mol×K | [940.26; 1166.89] | 
|
| Cp,gas | 896.88 | J/mol×K | 940.26 | Joback Calculated Property |
| Cp,gas | 910.11 | J/mol×K | 978.03 | Joback Calculated Property |
| Cp,gas | 922.02 | J/mol×K | 1015.80 | Joback Calculated Property |
| Cp,gas | 932.63 | J/mol×K | 1053.58 | Joback Calculated Property |
| Cp,gas | 942.01 | J/mol×K | 1091.35 | Joback Calculated Property |
| Cp,gas | 950.20 | J/mol×K | 1129.12 | Joback Calculated Property |
| Cp,gas | 957.24 | J/mol×K | 1166.89 | Joback Calculated Property |
| η | [0.0000277; 0.0002733] | Pa×s | [564.53; 940.26] |
|
| η | 0.0002733 | Pa×s | 564.53 | Joback Calculated Property |
| η | 0.0001543 | Pa×s | 627.15 | Joback Calculated Property |
| η | 0.0000966 | Pa×s | 689.77 | Joback Calculated Property |
| η | 0.0000654 | Pa×s | 752.39 | Joback Calculated Property |
| η | 0.0000470 | Pa×s | 815.02 | Joback Calculated Property |
| η | 0.0000354 | Pa×s | 877.64 | Joback Calculated Property |
| η | 0.0000277 | Pa×s | 940.26 | Joback Calculated Property |
Similar Compounds
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Sources
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