- InChI
- InChI=1S/C15H11Cl9O5/c16-5-14(21,22)12(25)28-4-7(29-13(26)15(23,24)6-17)3-27-11-2-9(19)8(18)1-10(11)20/h1-2,7H,3-6H2
- InChI Key
- QWIBKUQOFSIULI-UHFFFAOYSA-N
- Formula
- C15H11Cl9O5
- SMILES
-
O=C(OCC(COc1cc(Cl)c(Cl)cc1Cl)O
C(=O)C(Cl)(Cl)CCl)C(Cl)(Cl)CCl - Molecular Weight1
- 590.32
- CAS
- 100961-23-7
- 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).
- 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° | -518.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -937.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.45 | kJ/mol | Joback Calculated Property |
| log10WS | -6.97 | Crippen Calculated Property | |
| logPoct/wat | 6.306 | Crippen Calculated Property | |
| McVol | 329.360 | ml/mol | McGowan Calculated Property |
| Pc | 1497.67 | kPa | Joback Calculated Property |
| Tboil | 1089.19 | K | Joback Calculated Property |
| Tc | 1344.71 | K | Joback Calculated Property |
| Tfus | 748.46 | K | Joback Calculated Property |
| Vc | 1.246 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [788.94; 802.65] | J/mol×K | [1089.19; 1344.71] | 
|
| Cp,gas | 788.94 | J/mol×K | 1089.19 | Joback Calculated Property |
| Cp,gas | 793.15 | J/mol×K | 1131.78 | Joback Calculated Property |
| Cp,gas | 796.49 | J/mol×K | 1174.36 | Joback Calculated Property |
| Cp,gas | 799.04 | J/mol×K | 1216.95 | Joback Calculated Property |
| Cp,gas | 800.86 | J/mol×K | 1259.53 | Joback Calculated Property |
| Cp,gas | 802.04 | J/mol×K | 1302.12 | Joback Calculated Property |
| Cp,gas | 802.65 | J/mol×K | 1344.71 | Joback Calculated Property |
| η | [0.0000091; 0.0000604] | Pa×s | [748.46; 1089.19] |
|
| η | 0.0000604 | Pa×s | 748.46 | Joback Calculated Property |
| η | 0.0000394 | Pa×s | 805.25 | Joback Calculated Property |
| η | 0.0000272 | Pa×s | 862.04 | Joback Calculated Property |
| η | 0.0000197 | Pa×s | 918.83 | Joback Calculated Property |
| η | 0.0000148 | Pa×s | 975.61 | Joback Calculated Property |
| η | 0.0000115 | Pa×s | 1032.40 | Joback Calculated Property |
| η | 0.0000091 | Pa×s | 1089.19 | Joback Calculated Property |
Similar Compounds
Sources
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