- InChI
- InChI=1S/C21H15Cl3O4/c22-16-10-17(23)21(18(24)11-16)28-20(26)8-7-19(25)27-12-13-5-6-14-3-1-2-4-15(14)9-13/h1-6,9-11H,7-8,12H2
- InChI Key
- HCBQACBFVMQBOE-UHFFFAOYSA-N
- Formula
- C21H15Cl3O4
- SMILES
-
O=C(CCC(=O)Oc1c(Cl)cc(Cl)cc1Cl
)OCc1ccc2ccccc2c1 - Molecular Weight1
- 437.70
- 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° | -84.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -395.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.65 | kJ/mol | Joback Calculated Property |
| log10WS | -7.87 | Crippen Calculated Property | |
| logPoct/wat | 6.229 | Crippen Calculated Property | |
| McVol | 291.370 | ml/mol | McGowan Calculated Property |
| Pc | 1727.46 | kPa | Joback Calculated Property |
| Inp | [3407.00; 3407.00] |
|
|
| Inp | 3407.00 | NIST | |
| Inp | 3407.00 | NIST | |
| Tboil | 1037.01 | K | Joback Calculated Property |
| Tc | 1288.96 | K | Joback Calculated Property |
| Tfus | 696.13 | K | Joback Calculated Property |
| Vc | 1.113 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [811.25; 849.46] | J/mol×K | [1037.01; 1288.96] |
|
| Cp,gas | 811.25 | J/mol×K | 1037.01 | Joback Calculated Property |
| Cp,gas | 820.00 | J/mol×K | 1079.00 | Joback Calculated Property |
| Cp,gas | 827.70 | J/mol×K | 1120.99 | Joback Calculated Property |
| Cp,gas | 834.42 | J/mol×K | 1162.99 | Joback Calculated Property |
| Cp,gas | 840.24 | J/mol×K | 1204.98 | Joback Calculated Property |
| Cp,gas | 845.23 | J/mol×K | 1246.97 | Joback Calculated Property |
| Cp,gas | 849.46 | J/mol×K | 1288.96 | Joback Calculated Property |
| η | [0.0000695; 0.0003009] | Pa×s | [696.13; 1037.01] |
|
| η | 0.0003009 | Pa×s | 696.13 | Joback Calculated Property |
| η | 0.0002150 | Pa×s | 752.94 | Joback Calculated Property |
| η | 0.0001610 | Pa×s | 809.76 | Joback Calculated Property |
| η | 0.0001253 | Pa×s | 866.57 | Joback Calculated Property |
| η | 0.0001005 | Pa×s | 923.38 | Joback Calculated Property |
| η | 0.0000827 | Pa×s | 980.20 | Joback Calculated Property |
| η | 0.0000695 | Pa×s | 1037.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2,4,6-trichlorophenyl 2-naphthylmethyl ester.
Sources
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