- InChI
- InChI=1S/C22H26O5/c1-17(2)15-25-21(23)12-7-13-22(24)26-16-18-8-6-11-20(14-18)27-19-9-4-3-5-10-19/h3-6,8-11,14,17H,7,12-13,15-16H2,1-2H3
- InChI Key
- DTGOAXVCWRTXFL-UHFFFAOYSA-N
- Formula
- C22H26O5
- SMILES
-
CC(C)COC(=O)CCCC(=O)OCc1cccc(O
c2ccccc2)c1 - Molecular Weight1
- 370.44
- 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° | -225.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -662.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.11 | kJ/mol | Joback Calculated Property |
| log10WS | -5.24 | Crippen Calculated Property | |
| logPoct/wat | 4.892 | Crippen Calculated Property | |
| McVol | 294.070 | ml/mol | McGowan Calculated Property |
| Pc | 1479.29 | kPa | Joback Calculated Property |
| Inp | 2807.00 | NIST | |
| Tboil | 935.66 | K | Joback Calculated Property |
| Tc | 1159.79 | K | Joback Calculated Property |
| Tfus | 554.61 | K | Joback Calculated Property |
| Vc | 1.111 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [925.83; 985.86] | J/mol×K | [935.66; 1159.79] | 
|
| Cp,gas | 925.83 | J/mol×K | 935.66 | Joback Calculated Property |
| Cp,gas | 939.42 | J/mol×K | 973.02 | Joback Calculated Property |
| Cp,gas | 951.53 | J/mol×K | 1010.37 | Joback Calculated Property |
| Cp,gas | 962.21 | J/mol×K | 1047.73 | Joback Calculated Property |
| Cp,gas | 971.47 | J/mol×K | 1085.08 | Joback Calculated Property |
| Cp,gas | 979.34 | J/mol×K | 1122.44 | Joback Calculated Property |
| Cp,gas | 985.86 | J/mol×K | 1159.79 | Joback Calculated Property |
| η | [0.0000289; 0.0003243] | Pa×s | [554.61; 935.66] |
|
| η | 0.0003243 | Pa×s | 554.61 | Joback Calculated Property |
| η | 0.0001761 | Pa×s | 618.12 | Joback Calculated Property |
| η | 0.0001072 | Pa×s | 681.63 | Joback Calculated Property |
| η | 0.0000710 | Pa×s | 745.13 | Joback Calculated Property |
| η | 0.0000502 | Pa×s | 808.64 | Joback Calculated Property |
| η | 0.0000373 | Pa×s | 872.15 | Joback Calculated Property |
| η | 0.0000289 | Pa×s | 935.66 | Joback Calculated Property |
Similar Compounds
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Sources
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