- InChI
- InChI=1S/C22H32O6/c1-17(2)14-25-21(23)9-7-5-3-4-6-8-10-22(24)26-15-18-11-12-19-20(13-18)28-16-27-19/h11-13,17H,3-10,14-16H2,1-2H3
- InChI Key
- JIBUTEMOLZBQPK-UHFFFAOYSA-N
- Formula
- C22H32O6
- SMILES
-
CC(C)COC(=O)CCCCCCCCC(=O)OCc1c
cc2c(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° | -346.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -949.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 61.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.33 | kJ/mol | Joback Calculated Property |
| log10WS | -5.91 | Crippen Calculated Property | |
| logPoct/wat | 4.778 | Crippen Calculated Property | |
| McVol | 312.840 | ml/mol | McGowan Calculated Property |
| Pc | 1290.21 | kPa | Joback Calculated Property |
| Inp | [2893.00; 2893.00] |
|
|
| Inp | 2893.00 | NIST | |
| Inp | 2893.00 | NIST | |
| Tboil | 956.85 | K | Joback Calculated Property |
| Tc | 1174.01 | K | Joback Calculated Property |
| Tfus | 593.80 | K | Joback Calculated Property |
| Vc | 1.202 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1039.67; 1113.51] | J/mol×K | [956.85; 1174.01] |
|
| Cp,gas | 1039.67 | J/mol×K | 956.85 | Joback Calculated Property |
| Cp,gas | 1054.67 | J/mol×K | 993.04 | Joback Calculated Property |
| Cp,gas | 1068.51 | J/mol×K | 1029.24 | Joback Calculated Property |
| Cp,gas | 1081.26 | J/mol×K | 1065.43 | Joback Calculated Property |
| Cp,gas | 1092.97 | J/mol×K | 1101.62 | Joback Calculated Property |
| Cp,gas | 1103.70 | J/mol×K | 1137.82 | Joback Calculated Property |
| Cp,gas | 1113.51 | J/mol×K | 1174.01 | Joback Calculated Property |
| η | [0.0000680; 0.0005504] | Pa×s | [593.80; 956.85] |
|
| η | 0.0005504 | Pa×s | 593.80 | Joback Calculated Property |
| η | 0.0003306 | Pa×s | 654.31 | Joback Calculated Property |
| η | 0.0002165 | Pa×s | 714.82 | Joback Calculated Property |
| η | 0.0001515 | Pa×s | 775.32 | Joback Calculated Property |
| η | 0.0001116 | Pa×s | 835.83 | Joback Calculated Property |
| η | 0.0000857 | Pa×s | 896.34 | Joback Calculated Property |
| η | 0.0000680 | Pa×s | 956.85 | Joback Calculated Property |
Similar Compounds
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Sources
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