- InChI
- InChI=1S/C9Cl8O2/c10-1-2(11)4(13)7(5(14)3(1)12)19-9(18)6(15)8(16)17
- InChI Key
- YYWRLRGQSRUHAU-UHFFFAOYSA-N
- Formula
- C9Cl8O2
- SMILES
-
O=C(Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1C
l)C(Cl)=C(Cl)Cl - Molecular Weight1
- 423.72
- CAS
- 3881-57-0
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | -177.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -322.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.57 | kJ/mol | Joback Calculated Property |
| log10WS | -7.43 | Crippen Calculated Property | |
| logPoct/wat | 6.745 | Crippen Calculated Property | |
| McVol | 214.970 | ml/mol | McGowan Calculated Property |
| Pc | 2465.36 | kPa | Joback Calculated Property |
| Tboil | 836.55 | K | Joback Calculated Property |
| Tc | 1098.10 | K | Joback Calculated Property |
| Tfus | 558.73 | K | Joback Calculated Property |
| Vc | 0.830 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [378.33; 397.91] | J/mol×K | [836.55; 1098.10] | 
|
| Cp,gas | 378.33 | J/mol×K | 836.55 | Joback Calculated Property |
| Cp,gas | 382.79 | J/mol×K | 880.14 | Joback Calculated Property |
| Cp,gas | 386.74 | J/mol×K | 923.73 | Joback Calculated Property |
| Cp,gas | 390.19 | J/mol×K | 967.32 | Joback Calculated Property |
| Cp,gas | 393.19 | J/mol×K | 1010.92 | Joback Calculated Property |
| Cp,gas | 395.75 | J/mol×K | 1054.51 | Joback Calculated Property |
| Cp,gas | 397.91 | J/mol×K | 1098.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,3-Trichloroacrylic acid, pentachlorophenyl ester.
Sources
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