- InChI
- InChI=1S/C22H32Cl2O4/c1-12(25)28-13-6-9-21(3)16-7-8-20(2)15(4-5-17(20)19(26)27)14(16)10-18(23)22(21,24)11-13/h13-18H,4-11H2,1-3H3,(H,26,27)
- InChI Key
- QQUMOUYAMOTHCF-UHFFFAOYSA-N
- Formula
- C22H32Cl2O4
- SMILES
-
CC(=O)OC1CCC2(C)C3CCC4(C)C(C(=
O)O)CCC4C3CC(Cl)C2(Cl)C1 - Molecular Weight1
- 431.39
- CAS
- 116405-12-0
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- IE : Ionization energy (eV).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.7434 | Relay (... Calculated Property | |
| ΔfG° | -261.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -962.00 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 38.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 150.33 | kJ/mol | Relay (... Calculated Property |
| IE | 8.97 | eV | Relay (... Calculated Property |
| log10WS | -5.30 | Relay (... Calculated Property | |
| logPoct/wat | 5.240 | Crippen Calculated Property | |
| McVol | 316.760 | ml/mol | McGowan Calculated Property |
| Pc | 1493.04 | kPa | Joback Calculated Property |
| Tboil | 684.94 | K | Relay (... Calculated Property |
| Tc | 1008.01 | K | Relay (... Calculated Property |
| Tfus | 463.79 | K | Relay (... Calculated Property |
| Vc | 1.121 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1190.33; 1447.97] | J/mol×K | [1025.64; 1267.28] | 
|
| Cp,gas | 1190.33 | J/mol×K | 1025.64 | Joback Calculated Property |
| Cp,gas | 1225.28 | J/mol×K | 1065.91 | Joback Calculated Property |
| Cp,gas | 1262.79 | J/mol×K | 1106.19 | Joback Calculated Property |
| Cp,gas | 1303.34 | J/mol×K | 1146.46 | Joback Calculated Property |
| Cp,gas | 1347.41 | J/mol×K | 1186.73 | Joback Calculated Property |
| Cp,gas | 1395.46 | J/mol×K | 1227.01 | Joback Calculated Property |
| Cp,gas | 1447.97 | J/mol×K | 1267.28 | Joback Calculated Property |
Similar Compounds
Sources
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