- InChI
- InChI=1S/C21H28Cl2O5/c1-6-9-17(13(4)5)27-19(25)21(7-2,8-3)20(26)28-18-14(12-24)10-15(22)11-16(18)23/h10-13,17H,6-9H2,1-5H3
- InChI Key
- RCILYYMVCXRLGZ-UHFFFAOYSA-N
- Formula
- C21H28Cl2O5
- SMILES
-
CCCC(OC(=O)C(CC)(CC)C(=O)Oc1c(
Cl)cc(Cl)cc1C=O)C(C)C - Molecular Weight1
- 431.35
- 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° | -383.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -900.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.33 | kJ/mol | Joback Calculated Property |
| log10WS | -6.91 | Crippen Calculated Property | |
| logPoct/wat | 5.886 | Crippen Calculated Property | |
| McVol | 323.920 | ml/mol | McGowan Calculated Property |
| Pc | 1256.59 | kPa | Joback Calculated Property |
| Inp | 2537.00 | NIST | |
| Tboil | 993.49 | K | Joback Calculated Property |
| Tc | 1220.80 | K | Joback Calculated Property |
| Tfus | 608.99 | K | Joback Calculated Property |
| Vc | 1.244 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [997.84; 1051.84] | J/mol×K | [993.49; 1220.80] | 
|
| Cp,gas | 997.84 | J/mol×K | 993.49 | Joback Calculated Property |
| Cp,gas | 1009.84 | J/mol×K | 1031.37 | Joback Calculated Property |
| Cp,gas | 1020.58 | J/mol×K | 1069.26 | Joback Calculated Property |
| Cp,gas | 1030.10 | J/mol×K | 1107.14 | Joback Calculated Property |
| Cp,gas | 1038.45 | J/mol×K | 1145.03 | Joback Calculated Property |
| Cp,gas | 1045.68 | J/mol×K | 1182.91 | Joback Calculated Property |
| Cp,gas | 1051.84 | J/mol×K | 1220.80 | Joback Calculated Property |
| η | [0.0000241; 0.0002619] | Pa×s | [608.99; 993.49] |
|
| η | 0.0002619 | Pa×s | 608.99 | Joback Calculated Property |
| η | 0.0001456 | Pa×s | 673.07 | Joback Calculated Property |
| η | 0.0000897 | Pa×s | 737.16 | Joback Calculated Property |
| η | 0.0000596 | Pa×s | 801.24 | Joback Calculated Property |
| η | 0.0000422 | Pa×s | 865.32 | Joback Calculated Property |
| η | 0.0000313 | Pa×s | 929.41 | Joback Calculated Property |
| η | 0.0000241 | Pa×s | 993.49 | Joback Calculated Property |
Similar Compounds
Sources
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