- InChI
- InChI=1S/C22H26Cl2O4/c1-2-27-20(25)13-7-5-3-4-6-8-14-21(26)28-22-17-12-10-9-11-16(17)18(23)15-19(22)24/h9-12,15H,2-8,13-14H2,1H3
- InChI Key
- TVUMIAIWXWZKMG-UHFFFAOYSA-N
- Formula
- C22H26Cl2O4
- SMILES
-
CCOC(=O)CCCCCCCCC(=O)Oc1c(Cl)c
c(Cl)c2ccccc12 - Molecular Weight1
- 425.35
- 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° | -167.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -625.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.55 | kJ/mol | Joback Calculated Property |
| log10WS | -8.01 | Crippen Calculated Property | |
| logPoct/wat | 6.736 | Crippen Calculated Property | |
| McVol | 316.980 | ml/mol | McGowan Calculated Property |
| Pc | 1293.00 | kPa | Joback Calculated Property |
| Inp | [3267.00; 3267.00] |
|
|
| Inp | 3267.00 | NIST | |
| Inp | 3267.00 | NIST | |
| Tboil | 990.80 | K | Joback Calculated Property |
| Tc | 1217.56 | K | Joback Calculated Property |
| Tfus | 638.54 | K | Joback Calculated Property |
| Vc | 1.228 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [964.32; 1024.16] | J/mol×K | [990.80; 1217.56] |
|
| Cp,gas | 964.32 | J/mol×K | 990.80 | Joback Calculated Property |
| Cp,gas | 976.87 | J/mol×K | 1028.59 | Joback Calculated Property |
| Cp,gas | 988.32 | J/mol×K | 1066.39 | Joback Calculated Property |
| Cp,gas | 998.72 | J/mol×K | 1104.18 | Joback Calculated Property |
| Cp,gas | 1008.12 | J/mol×K | 1141.97 | Joback Calculated Property |
| Cp,gas | 1016.58 | J/mol×K | 1179.77 | Joback Calculated Property |
| Cp,gas | 1024.16 | J/mol×K | 1217.56 | Joback Calculated Property |
| η | [0.0000652; 0.0003551] | Pa×s | [638.54; 990.80] |
|
| η | 0.0003551 | Pa×s | 638.54 | Joback Calculated Property |
| η | 0.0002377 | Pa×s | 697.25 | Joback Calculated Property |
| η | 0.0001694 | Pa×s | 755.96 | Joback Calculated Property |
| η | 0.0001267 | Pa×s | 814.67 | Joback Calculated Property |
| η | 0.0000986 | Pa×s | 873.38 | Joback Calculated Property |
| η | 0.0000792 | Pa×s | 932.09 | Joback Calculated Property |
| η | 0.0000652 | Pa×s | 990.80 | Joback Calculated Property |
Similar Compounds
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Sources
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