- InChI
- InChI=1S/C12H9Cl5O4/c13-6-3-7(14)12(8(15)4-6)21-11(19)2-1-10(18)20-5-9(16)17/h3-4,9H,1-2,5H2
- InChI Key
- HXCWOHWTKOYSSS-UHFFFAOYSA-N
- Formula
- C12H9Cl5O4
- SMILES
-
O=C(CCC(=O)Oc1c(Cl)cc(Cl)cc1Cl
)OCC(Cl)Cl - Molecular Weight1
- 394.46
- 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° | -396.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -662.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.42 | kJ/mol | Joback Calculated Property |
| log10WS | -5.29 | Crippen Calculated Property | |
| logPoct/wat | 4.679 | Crippen Calculated Property | |
| McVol | 232.260 | ml/mol | McGowan Calculated Property |
| Pc | 2125.60 | kPa | Joback Calculated Property |
| Inp | [2495.00; 2495.00] |
|
|
| Inp | 2495.00 | NIST | |
| Inp | 2495.00 | NIST | |
| Tboil | 854.87 | K | Joback Calculated Property |
| Tc | 1086.74 | K | Joback Calculated Property |
| Tfus | 567.90 | K | Joback Calculated Property |
| Vc | 0.886 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [542.11; 576.82] | J/mol×K | [854.87; 1086.74] |
|
| Cp,gas | 542.11 | J/mol×K | 854.87 | Joback Calculated Property |
| Cp,gas | 550.19 | J/mol×K | 893.52 | Joback Calculated Property |
| Cp,gas | 557.35 | J/mol×K | 932.16 | Joback Calculated Property |
| Cp,gas | 563.59 | J/mol×K | 970.81 | Joback Calculated Property |
| Cp,gas | 568.92 | J/mol×K | 1009.45 | Joback Calculated Property |
| Cp,gas | 573.33 | J/mol×K | 1048.10 | Joback Calculated Property |
| Cp,gas | 576.82 | J/mol×K | 1086.74 | Joback Calculated Property |
| η | [0.0000763; 0.0004367] | Pa×s | [567.90; 854.87] |
|
| η | 0.0004367 | Pa×s | 567.90 | Joback Calculated Property |
| η | 0.0002917 | Pa×s | 615.73 | Joback Calculated Property |
| η | 0.0002065 | Pa×s | 663.56 | Joback Calculated Property |
| η | 0.0001531 | Pa×s | 711.38 | Joback Calculated Property |
| η | 0.0001179 | Pa×s | 759.21 | Joback Calculated Property |
| η | 0.0000937 | Pa×s | 807.04 | Joback Calculated Property |
| η | 0.0000763 | Pa×s | 854.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2,4,6-trichlorophenyl 2,2-dichloroethyl ester.
Sources
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