- InChI
- InChI=1S/C21H29Cl3O4/c1-4-7-8-9-10-11-12-27-19(25)21(5-2,6-3)20(26)28-17-14-15(22)13-16(23)18(17)24/h13-14H,4-12H2,1-3H3
- InChI Key
- CRACSYLLJSKESK-UHFFFAOYSA-N
- Formula
- C21H29Cl3O4
- SMILES
-
CCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc
1cc(Cl)cc(Cl)c1Cl - Molecular Weight1
- 451.81
- 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° | -291.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -820.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.77 | kJ/mol | Joback Calculated Property |
| log10WS | -7.90 | Crippen Calculated Property | |
| logPoct/wat | 7.262 | Crippen Calculated Property | |
| McVol | 334.590 | ml/mol | McGowan Calculated Property |
| Pc | 1150.65 | kPa | Joback Calculated Property |
| Inp | [2709.00; 2709.00] |
|
|
| Inp | 2709.00 | NIST | |
| Inp | 2709.00 | NIST | |
| Tboil | 983.14 | K | Joback Calculated Property |
| Tc | 1207.14 | K | Joback Calculated Property |
| Tfus | 626.91 | K | Joback Calculated Property |
| Vc | 1.288 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1010.50; 1069.97] | J/mol×K | [983.14; 1207.14] |
|
| Cp,gas | 1010.50 | J/mol×K | 983.14 | Joback Calculated Property |
| Cp,gas | 1023.25 | J/mol×K | 1020.47 | Joback Calculated Property |
| Cp,gas | 1034.79 | J/mol×K | 1057.81 | Joback Calculated Property |
| Cp,gas | 1045.18 | J/mol×K | 1095.14 | Joback Calculated Property |
| Cp,gas | 1054.48 | J/mol×K | 1132.48 | Joback Calculated Property |
| Cp,gas | 1062.73 | J/mol×K | 1169.81 | Joback Calculated Property |
| Cp,gas | 1069.97 | J/mol×K | 1207.14 | Joback Calculated Property |
| η | [0.0000230; 0.0001909] | Pa×s | [626.91; 983.14] |
|
| η | 0.0001909 | Pa×s | 626.91 | Joback Calculated Property |
| η | 0.0001152 | Pa×s | 686.28 | Joback Calculated Property |
| η | 0.0000754 | Pa×s | 745.65 | Joback Calculated Property |
| η | 0.0000525 | Pa×s | 805.02 | Joback Calculated Property |
| η | 0.0000384 | Pa×s | 864.40 | Joback Calculated Property |
| η | 0.0000293 | Pa×s | 923.77 | Joback Calculated Property |
| η | 0.0000230 | Pa×s | 983.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, octyl 2,3,5-trichlorophenyl ester.
Sources
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