- InChI
- InChI=1S/C22H26O5/c1-4-22(5-2,20(23)25-6-3)21(24)26-16-17-11-10-14-19(15-17)27-18-12-8-7-9-13-18/h7-15H,4-6,16H2,1-3H3
- InChI Key
- MKJDLFQAMIMDLT-UHFFFAOYSA-N
- Formula
- C22H26O5
- SMILES
-
CCOC(=O)C(CC)(CC)C(=O)OCc1cccc
(Oc2ccccc2)c1 - Molecular Weight1
- 370.44
- 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 | 0.8534 | Relay (1.0) Calculated Property | |
| ΔfG° | -220.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -742.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.892 | Crippen Calculated Property | |
| McVol | 294.070 | ml/mol | McGowan Calculated Property |
| Pc | 1491.89 | kPa | Joback Calculated Property |
| Inp | 2546.00 | NIST | |
| Tboil | 674.29 | K | Relay (1.0) Calculated Property |
| Tc | 911.30 | K | Relay (1.0) Calculated Property |
| Tfus | 303.58 | K | Relay (1.0) Calculated Property |
| Vc | 1.040 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [925.88; 988.50] | J/mol×K | [932.87; 1160.82] | 
|
| Cp,gas | 925.88 | J/mol×K | 932.87 | Joback Calculated Property |
| Cp,gas | 939.64 | J/mol×K | 970.86 | Joback Calculated Property |
| Cp,gas | 952.00 | J/mol×K | 1008.85 | Joback Calculated Property |
| Cp,gas | 963.01 | J/mol×K | 1046.85 | Joback Calculated Property |
| Cp,gas | 972.73 | J/mol×K | 1084.84 | Joback Calculated Property |
| Cp,gas | 981.21 | J/mol×K | 1122.83 | Joback Calculated Property |
| Cp,gas | 988.50 | J/mol×K | 1160.82 | Joback Calculated Property |
| η | [0.0000243; 0.0002585] | Pa×s | [572.03; 932.87] |
|
| η | 0.0002585 | Pa×s | 572.03 | Joback Calculated Property |
| η | 0.0001445 | Pa×s | 632.17 | Joback Calculated Property |
| η | 0.0000894 | Pa×s | 692.31 | Joback Calculated Property |
| η | 0.0000597 | Pa×s | 752.45 | Joback Calculated Property |
| η | 0.0000423 | Pa×s | 812.59 | Joback Calculated Property |
| η | 0.0000315 | Pa×s | 872.73 | Joback Calculated Property |
| η | 0.0000243 | Pa×s | 932.87 | Joback Calculated Property |
Similar Compounds
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Sources
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