- InChI
- InChI=1S/C22H32O6/c1-2-3-14-25-21(23)10-8-6-4-5-7-9-11-22(24)26-16-18-12-13-19-20(15-18)28-17-27-19/h12-13,15H,2-11,14,16-17H2,1H3
- InChI Key
- MLBIREAQRPGEHI-UHFFFAOYSA-N
- Formula
- C22H32O6
- SMILES
-
CCCCOC(=O)CCCCCCCCC(=O)OCc1ccc
2c(c1)OCO2 - Molecular Weight1
- 392.49
- 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° | -344.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -944.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 64.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.72 | kJ/mol | Joback Calculated Property |
| log10WS | -6.15 | Crippen Calculated Property | |
| logPoct/wat | 4.923 | Crippen Calculated Property | |
| McVol | 312.840 | ml/mol | McGowan Calculated Property |
| Pc | 1282.83 | kPa | Joback Calculated Property |
| Inp | [2931.00; 2931.00] |
|
|
| Inp | 2931.00 | NIST | |
| Inp | 2931.00 | NIST | |
| Tboil | 957.29 | K | Joback Calculated Property |
| Tc | 1173.74 | K | Joback Calculated Property |
| Tfus | 608.80 | K | Joback Calculated Property |
| Vc | 1.208 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1039.25; 1113.39] | J/mol×K | [957.29; 1173.74] |
|
| Cp,gas | 1039.25 | J/mol×K | 957.29 | Joback Calculated Property |
| Cp,gas | 1054.25 | J/mol×K | 993.37 | Joback Calculated Property |
| Cp,gas | 1068.11 | J/mol×K | 1029.44 | Joback Calculated Property |
| Cp,gas | 1080.90 | J/mol×K | 1065.52 | Joback Calculated Property |
| Cp,gas | 1092.67 | J/mol×K | 1101.59 | Joback Calculated Property |
| Cp,gas | 1103.48 | J/mol×K | 1137.67 | Joback Calculated Property |
| Cp,gas | 1113.39 | J/mol×K | 1173.74 | Joback Calculated Property |
| η | [0.0000746; 0.0005163] | Pa×s | [608.80; 957.29] |
|
| η | 0.0005163 | Pa×s | 608.80 | Joback Calculated Property |
| η | 0.0003250 | Pa×s | 666.88 | Joback Calculated Property |
| η | 0.0002204 | Pa×s | 724.96 | Joback Calculated Property |
| η | 0.0001583 | Pa×s | 783.04 | Joback Calculated Property |
| η | 0.0001190 | Pa×s | 841.13 | Joback Calculated Property |
| η | 0.0000928 | Pa×s | 899.21 | Joback Calculated Property |
| η | 0.0000746 | Pa×s | 957.29 | Joback Calculated Property |
Similar Compounds
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Sources
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