- InChI
- InChI=1S/C11H9Cl5O3/c12-6-11(15,16)10(17)19-4-3-18-7-1-2-8(13)9(14)5-7/h1-2,5H,3-4,6H2
- InChI Key
- HGMQVASYZZSHJR-UHFFFAOYSA-N
- Formula
- C11H9Cl5O3
- SMILES
-
O=C(OCCOc1ccc(Cl)c(Cl)c1)C(Cl)
(Cl)CCl - Molecular Weight1
- 366.45
- CAS
- 99972-22-2
- ω : Acentric Factor.
- 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).
- 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 | 0.6798 | Relay (... Calculated Property | |
| ΔfG° | -260.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -578.40 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 35.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.54 | kJ/mol | Relay (... Calculated Property |
| IE | 9.00 | eV | Relay (... Calculated Property |
| log10WS | -5.99 | Relay (... Calculated Property | |
| logPoct/wat | 4.328 | Crippen Calculated Property | |
| McVol | 216.600 | ml/mol | McGowan Calculated Property |
| Pc | 2246.13 | kPa | Joback Calculated Property |
| Tboil | 614.07 | K | Relay (... Calculated Property |
| Tc | 879.42 | K | Relay (... Calculated Property |
| Tfus | 330.86 | K | Relay (... Calculated Property |
| Vc | 0.758 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [488.81; 531.94] | J/mol×K | [770.35; 1006.93] | 
|
| Cp,gas | 488.81 | J/mol×K | 770.35 | Joback Calculated Property |
| Cp,gas | 498.04 | J/mol×K | 809.78 | Joback Calculated Property |
| Cp,gas | 506.41 | J/mol×K | 849.21 | Joback Calculated Property |
| Cp,gas | 513.94 | J/mol×K | 888.64 | Joback Calculated Property |
| Cp,gas | 520.69 | J/mol×K | 928.07 | Joback Calculated Property |
| Cp,gas | 526.67 | J/mol×K | 967.50 | Joback Calculated Property |
| Cp,gas | 531.94 | J/mol×K | 1006.93 | Joback Calculated Property |
| η | [0.0000802; 0.0005257] | Pa×s | [511.60; 770.35] |
|
| η | 0.0005257 | Pa×s | 511.60 | Joback Calculated Property |
| η | 0.0003402 | Pa×s | 554.73 | Joback Calculated Property |
| η | 0.0002344 | Pa×s | 597.85 | Joback Calculated Property |
| η | 0.0001698 | Pa×s | 640.98 | Joback Calculated Property |
| η | 0.0001281 | Pa×s | 684.10 | Joback Calculated Property |
| η | 0.0000999 | Pa×s | 727.23 | Joback Calculated Property |
| η | 0.0000802 | Pa×s | 770.35 | Joback Calculated Property |
Similar Compounds
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Sources
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