- InChI
- InChI=1S/C22H20Cl2O4/c1-13-11-15(7-9-19(13)23)27-21(25)17-5-3-4-6-18(17)22(26)28-16-8-10-20(24)14(2)12-16/h3-4,7-12,17-18H,5-6H2,1-2H3
- InChI Key
- RQGDIHNJOSPEBX-UHFFFAOYSA-N
- Formula
- C22H20Cl2O4
- SMILES
-
Cc1cc(OC(=O)C2CC=CCC2C(=O)Oc2c
cc(Cl)c(C)c2)ccc1Cl - Molecular Weight1
- 419.30
- 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° | -124.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -499.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.26 | kJ/mol | Joback Calculated Property |
| log10WS | -7.01 | Crippen Calculated Property | |
| logPoct/wat | 5.704 | Crippen Calculated Property | |
| McVol | 297.520 | ml/mol | McGowan Calculated Property |
| Pc | 1597.44 | kPa | Joback Calculated Property |
| Inp | [3174.00; 3174.00] |
|
|
| Inp | 3174.00 | NIST | |
| Inp | 3174.00 | NIST | |
| Tboil | 1017.52 | K | Joback Calculated Property |
| Tc | 1271.19 | K | Joback Calculated Property |
| Tfus | 648.68 | K | Joback Calculated Property |
| Vc | 1.115 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [901.87; 935.68] | J/mol×K | [1017.52; 1271.19] |
|
| Cp,gas | 901.87 | J/mol×K | 1017.52 | Joback Calculated Property |
| Cp,gas | 911.98 | J/mol×K | 1059.80 | Joback Calculated Property |
| Cp,gas | 920.25 | J/mol×K | 1102.08 | Joback Calculated Property |
| Cp,gas | 926.72 | J/mol×K | 1144.35 | Joback Calculated Property |
| Cp,gas | 931.43 | J/mol×K | 1186.63 | Joback Calculated Property |
| Cp,gas | 934.40 | J/mol×K | 1228.91 | Joback Calculated Property |
| Cp,gas | 935.68 | J/mol×K | 1271.19 | Joback Calculated Property |
| η | [0.0000507; 0.0002874] | Pa×s | [648.68; 1017.52] |
|
| η | 0.0002874 | Pa×s | 648.68 | Joback Calculated Property |
| η | 0.0001899 | Pa×s | 710.15 | Joback Calculated Property |
| η | 0.0001341 | Pa×s | 771.63 | Joback Calculated Property |
| η | 0.0000997 | Pa×s | 833.10 | Joback Calculated Property |
| η | 0.0000771 | Pa×s | 894.57 | Joback Calculated Property |
| η | 0.0000617 | Pa×s | 956.05 | Joback Calculated Property |
| η | 0.0000507 | Pa×s | 1017.52 | Joback Calculated Property |
Similar Compounds
Sources
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