- InChI
- InChI=1S/C22H34O5/c1-3-4-5-6-7-8-9-12-17-26-21(23)15-16-22(24)27-18-19-13-10-11-14-20(19)25-2/h10-11,13-14H,3-9,12,15-18H2,1-2H3
- InChI Key
- MFRDXQNNRXIXTN-UHFFFAOYSA-N
- Formula
- C22H34O5
- SMILES
-
CCCCCCCCCCOC(=O)CCC(=O)OCc1ccc
cc1OC - Molecular Weight1
- 378.50
- 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° | -335.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -894.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.23 | kJ/mol | Joback Calculated Property |
| log10WS | -6.06 | Crippen Calculated Property | |
| logPoct/wat | 5.202 | Crippen Calculated Property | |
| McVol | 317.830 | ml/mol | McGowan Calculated Property |
| Pc | 1157.71 | kPa | Joback Calculated Property |
| Inp | [2762.00; 2762.00] |
|
|
| Inp | 2762.00 | NIST | |
| Inp | 2762.00 | NIST | |
| Tboil | 909.42 | K | Joback Calculated Property |
| Tc | 1115.54 | K | Joback Calculated Property |
| Tfus | 543.19 | K | Joback Calculated Property |
| Vc | 1.226 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1027.01; 1103.12] | J/mol×K | [909.42; 1115.54] |
|
| Cp,gas | 1027.01 | J/mol×K | 909.42 | Joback Calculated Property |
| Cp,gas | 1043.01 | J/mol×K | 943.77 | Joback Calculated Property |
| Cp,gas | 1057.67 | J/mol×K | 978.13 | Joback Calculated Property |
| Cp,gas | 1070.99 | J/mol×K | 1012.48 | Joback Calculated Property |
| Cp,gas | 1082.99 | J/mol×K | 1046.83 | Joback Calculated Property |
| Cp,gas | 1093.70 | J/mol×K | 1081.18 | Joback Calculated Property |
| Cp,gas | 1103.12 | J/mol×K | 1115.54 | Joback Calculated Property |
| η | [0.0000307; 0.0003352] | Pa×s | [543.19; 909.42] |
|
| η | 0.0003352 | Pa×s | 543.19 | Joback Calculated Property |
| η | 0.0001841 | Pa×s | 604.23 | Joback Calculated Property |
| η | 0.0001129 | Pa×s | 665.27 | Joback Calculated Property |
| η | 0.0000751 | Pa×s | 726.31 | Joback Calculated Property |
| η | 0.0000532 | Pa×s | 787.34 | Joback Calculated Property |
| η | 0.0000397 | Pa×s | 848.38 | Joback Calculated Property |
| η | 0.0000307 | Pa×s | 909.42 | Joback Calculated Property |
Similar Compounds
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Sources
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