- InChI
- InChI=1S/C20H20Cl2O5/c21-18(22)14-26-20(24)11-5-10-19(23)25-13-15-6-4-9-17(12-15)27-16-7-2-1-3-8-16/h1-4,6-9,12,18H,5,10-11,13-14H2
- InChI Key
- NXHURRGYZYMSAY-UHFFFAOYSA-N
- Formula
- C20H20Cl2O5
- SMILES
-
O=C(CCCC(=O)OCC(Cl)Cl)OCc1cccc
(Oc2ccccc2)c1 - Molecular Weight1
- 411.28
- 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° | -266.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -653.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.43 | kJ/mol | Joback Calculated Property |
| log10WS | -5.55 | Crippen Calculated Property | |
| logPoct/wat | 5.039 | Crippen Calculated Property | |
| McVol | 290.370 | ml/mol | McGowan Calculated Property |
| Pc | 1623.29 | kPa | Joback Calculated Property |
| Inp | [3002.00; 3002.00] |
|
|
| Inp | 3002.00 | NIST | |
| Inp | 3002.00 | NIST | |
| Tboil | 964.76 | K | Joback Calculated Property |
| Tc | 1198.09 | K | Joback Calculated Property |
| Tfus | 591.91 | K | Joback Calculated Property |
| Vc | 1.097 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [852.00; 895.01] | J/mol×K | [964.76; 1198.09] |
|
| Cp,gas | 852.00 | J/mol×K | 964.76 | Joback Calculated Property |
| Cp,gas | 862.61 | J/mol×K | 1003.65 | Joback Calculated Property |
| Cp,gas | 871.80 | J/mol×K | 1042.54 | Joback Calculated Property |
| Cp,gas | 879.60 | J/mol×K | 1081.42 | Joback Calculated Property |
| Cp,gas | 886.05 | J/mol×K | 1120.31 | Joback Calculated Property |
| Cp,gas | 891.18 | J/mol×K | 1159.20 | Joback Calculated Property |
| Cp,gas | 895.01 | J/mol×K | 1198.09 | Joback Calculated Property |
| η | [0.0000280; 0.0002657] | Pa×s | [591.91; 964.76] |
|
| η | 0.0002657 | Pa×s | 591.91 | Joback Calculated Property |
| η | 0.0001528 | Pa×s | 654.05 | Joback Calculated Property |
| η | 0.0000967 | Pa×s | 716.19 | Joback Calculated Property |
| η | 0.0000658 | Pa×s | 778.34 | Joback Calculated Property |
| η | 0.0000474 | Pa×s | 840.48 | Joback Calculated Property |
| η | 0.0000358 | Pa×s | 902.62 | Joback Calculated Property |
| η | 0.0000280 | Pa×s | 964.76 | Joback Calculated Property |
Similar Compounds
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Sources
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