- InChI
- InChI=1S/C12H12Cl4O2/c13-5-3-1-2-4-12(17)18-11-7-9(15)8(14)6-10(11)16/h6-7H,1-5H2
- InChI Key
- RWCBWJQSBGXTNB-UHFFFAOYSA-N
- Formula
- C12H12Cl4O2
- SMILES
-
O=C(CCCCCCl)Oc1cc(Cl)c(Cl)cc1C
l - Molecular Weight1
- 330.03
- 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° | -147.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -396.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.26 | kJ/mol | Joback Calculated Property |
| log10WS | -5.67 | Crippen Calculated Property | |
| logPoct/wat | 5.351 | Crippen Calculated Property | |
| McVol | 212.580 | ml/mol | McGowan Calculated Property |
| Pc | 2092.66 | kPa | Joback Calculated Property |
| Inp | [2298.00; 2298.00] |
|
|
| Inp | 2298.00 | NIST | |
| Inp | 2298.00 | NIST | |
| Tboil | 741.59 | K | Joback Calculated Property |
| Tc | 963.78 | K | Joback Calculated Property |
| Tfus | 480.82 | K | Joback Calculated Property |
| Vc | 0.820 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [491.51; 545.10] | J/mol×K | [741.59; 963.78] |
|
| Cp,gas | 491.51 | J/mol×K | 741.59 | Joback Calculated Property |
| Cp,gas | 502.33 | J/mol×K | 778.62 | Joback Calculated Property |
| Cp,gas | 512.37 | J/mol×K | 815.65 | Joback Calculated Property |
| Cp,gas | 521.66 | J/mol×K | 852.69 | Joback Calculated Property |
| Cp,gas | 530.19 | J/mol×K | 889.72 | Joback Calculated Property |
| Cp,gas | 538.01 | J/mol×K | 926.75 | Joback Calculated Property |
| Cp,gas | 545.10 | J/mol×K | 963.78 | Joback Calculated Property |
| η | [0.0001304; 0.0007397] | Pa×s | [480.82; 741.59] |
|
| η | 0.0007397 | Pa×s | 480.82 | Joback Calculated Property |
| η | 0.0004913 | Pa×s | 524.28 | Joback Calculated Property |
| η | 0.0003474 | Pa×s | 567.74 | Joback Calculated Property |
| η | 0.0002580 | Pa×s | 611.21 | Joback Calculated Property |
| η | 0.0001994 | Pa×s | 654.67 | Joback Calculated Property |
| η | 0.0001591 | Pa×s | 698.13 | Joback Calculated Property |
| η | 0.0001304 | Pa×s | 741.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Chlorohexanoic acid, 2,4,5-trichlorophenyl ester.
Sources
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