- InChI
- InChI=1S/C20H28O6/c1-2-23-19(21)9-7-5-3-4-6-8-10-20(22)24-14-16-11-12-17-18(13-16)26-15-25-17/h11-13H,2-10,14-15H2,1H3
- InChI Key
- FZUSCKHKENYCMJ-UHFFFAOYSA-N
- Formula
- C20H28O6
- SMILES
-
CCOC(=O)CCCCCCCCC(=O)OCc1ccc2c
(c1)OCO2 - Molecular Weight1
- 364.43
- 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° | -360.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -903.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 59.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.27 | kJ/mol | Joback Calculated Property |
| log10WS | -5.31 | Crippen Calculated Property | |
| logPoct/wat | 4.142 | Crippen Calculated Property | |
| McVol | 284.660 | ml/mol | McGowan Calculated Property |
| Pc | 1479.29 | kPa | Joback Calculated Property |
| Inp | [2737.00; 2737.00] |
|
|
| Inp | 2737.00 | NIST | |
| Inp | 2737.00 | NIST | |
| Tboil | 911.53 | K | Joback Calculated Property |
| Tc | 1123.24 | K | Joback Calculated Property |
| Tfus | 586.26 | K | Joback Calculated Property |
| Vc | 1.095 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [919.49; 991.21] | J/mol×K | [911.53; 1123.24] |
|
| Cp,gas | 919.49 | J/mol×K | 911.53 | Joback Calculated Property |
| Cp,gas | 933.93 | J/mol×K | 946.81 | Joback Calculated Property |
| Cp,gas | 947.30 | J/mol×K | 982.10 | Joback Calculated Property |
| Cp,gas | 959.67 | J/mol×K | 1017.38 | Joback Calculated Property |
| Cp,gas | 971.08 | J/mol×K | 1052.67 | Joback Calculated Property |
| Cp,gas | 981.57 | J/mol×K | 1087.95 | Joback Calculated Property |
| Cp,gas | 991.21 | J/mol×K | 1123.24 | Joback Calculated Property |
| η | [0.0000994; 0.0006350] | Pa×s | [586.26; 911.53] |
|
| η | 0.0006350 | Pa×s | 586.26 | Joback Calculated Property |
| η | 0.0004090 | Pa×s | 640.47 | Joback Calculated Property |
| η | 0.0002822 | Pa×s | 694.68 | Joback Calculated Property |
| η | 0.0002054 | Pa×s | 748.89 | Joback Calculated Property |
| η | 0.0001561 | Pa×s | 803.11 | Joback Calculated Property |
| η | 0.0001228 | Pa×s | 857.32 | Joback Calculated Property |
| η | 0.0000994 | Pa×s | 911.53 | Joback Calculated Property |
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Sources
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