- InChI
- InChI=1S/C17H13Cl3O4/c18-12-6-4-11(5-7-12)10-23-15(21)8-9-16(22)24-14-3-1-2-13(19)17(14)20/h1-7H,8-10H2
- InChI Key
- RCHRFPNYADUPAD-UHFFFAOYSA-N
- Formula
- C17H13Cl3O4
- SMILES
-
O=C(CCC(=O)Oc1cccc(Cl)c1Cl)OCc
1ccc(Cl)cc1 - Molecular Weight1
- 387.64
- 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° | -215.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -492.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.44 | kJ/mol | Joback Calculated Property |
| log10WS | -6.07 | Crippen Calculated Property | |
| logPoct/wat | 5.076 | Crippen Calculated Property | |
| McVol | 254.470 | ml/mol | McGowan Calculated Property |
| Pc | 1971.80 | kPa | Joback Calculated Property |
| Inp | [2968.00; 2968.00] |
|
|
| Inp | 2968.00 | NIST | |
| Inp | 2968.00 | NIST | |
| Tboil | 921.53 | K | Joback Calculated Property |
| Tc | 1162.77 | K | Joback Calculated Property |
| Tfus | 605.83 | K | Joback Calculated Property |
| Vc | 0.967 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [672.67; 712.03] | J/mol×K | [921.53; 1162.77] |
|
| Cp,gas | 672.67 | J/mol×K | 921.53 | Joback Calculated Property |
| Cp,gas | 682.15 | J/mol×K | 961.74 | Joback Calculated Property |
| Cp,gas | 690.43 | J/mol×K | 1001.94 | Joback Calculated Property |
| Cp,gas | 697.53 | J/mol×K | 1042.15 | Joback Calculated Property |
| Cp,gas | 703.48 | J/mol×K | 1082.35 | Joback Calculated Property |
| Cp,gas | 708.30 | J/mol×K | 1122.56 | Joback Calculated Property |
| Cp,gas | 712.03 | J/mol×K | 1162.77 | Joback Calculated Property |
| η | [0.0000571; 0.0003250] | Pa×s | [605.83; 921.53] |
|
| η | 0.0003250 | Pa×s | 605.83 | Joback Calculated Property |
| η | 0.0002167 | Pa×s | 658.45 | Joback Calculated Property |
| η | 0.0001534 | Pa×s | 711.06 | Joback Calculated Property |
| η | 0.0001138 | Pa×s | 763.68 | Joback Calculated Property |
| η | 0.0000878 | Pa×s | 816.30 | Joback Calculated Property |
| η | 0.0000699 | Pa×s | 868.91 | Joback Calculated Property |
| η | 0.0000571 | Pa×s | 921.53 | Joback Calculated Property |
Similar Compounds
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Sources
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