- InChI
- InChI=1S/C11H9Cl5O3/c1-4(2)3-18-11(17)19-10-8(15)6(13)5(12)7(14)9(10)16/h4H,3H2,1-2H3
- InChI Key
- HHZUPNNIJGBWFU-UHFFFAOYSA-N
- Formula
- C11H9Cl5O3
- SMILES
-
CC(C)COC(=O)Oc1c(Cl)c(Cl)c(Cl)
c(Cl)c1Cl - Molecular Weight1
- 366.45
- 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° | -295.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -552.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.77 | kJ/mol | Joback Calculated Property |
| log10WS | -6.29 | Crippen Calculated Property | |
| logPoct/wat | 6.125 | Crippen Calculated Property | |
| McVol | 216.600 | ml/mol | McGowan Calculated Property |
| Pc | 2131.49 | kPa | Joback Calculated Property |
| Inp | [2137.00; 2137.00] |
|
|
| Inp | 2137.00 | NIST | |
| Inp | 2137.00 | NIST | |
| Tboil | 788.08 | K | Joback Calculated Property |
| Tc | 1019.40 | K | Joback Calculated Property |
| Tfus | 531.74 | K | Joback Calculated Property |
| Vc | 0.825 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [481.25; 523.37] | J/mol×K | [788.08; 1019.40] |
|
| Cp,gas | 481.25 | J/mol×K | 788.08 | Joback Calculated Property |
| Cp,gas | 490.32 | J/mol×K | 826.63 | Joback Calculated Property |
| Cp,gas | 498.59 | J/mol×K | 865.19 | Joback Calculated Property |
| Cp,gas | 506.06 | J/mol×K | 903.74 | Joback Calculated Property |
| Cp,gas | 512.68 | J/mol×K | 942.29 | Joback Calculated Property |
| Cp,gas | 518.46 | J/mol×K | 980.85 | Joback Calculated Property |
| Cp,gas | 523.37 | J/mol×K | 1019.40 | Joback Calculated Property |
| η | [0.0000928; 0.0004302] | Pa×s | [531.74; 788.08] |
|
| η | 0.0004302 | Pa×s | 531.74 | Joback Calculated Property |
| η | 0.0003029 | Pa×s | 574.46 | Joback Calculated Property |
| η | 0.0002239 | Pa×s | 617.19 | Joback Calculated Property |
| η | 0.0001721 | Pa×s | 659.91 | Joback Calculated Property |
| η | 0.0001366 | Pa×s | 702.63 | Joback Calculated Property |
| η | 0.0001113 | Pa×s | 745.36 | Joback Calculated Property |
| η | 0.0000928 | Pa×s | 788.08 | Joback Calculated Property |
Similar Compounds
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Sources
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