- InChI
- InChI=1S/C21H30Cl2O4/c1-4-7-8-9-10-11-12-26-19(24)21(5-2,6-3)20(25)27-18-14-16(22)13-17(23)15-18/h13-15H,4-12H2,1-3H3
- InChI Key
- HVBSJPSTLYBERT-UHFFFAOYSA-N
- Formula
- C21H30Cl2O4
- SMILES
-
CCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc
1cc(Cl)cc(Cl)c1 - Molecular Weight1
- 417.37
- 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° | -269.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -793.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.73 | kJ/mol | Joback Calculated Property |
| log10WS | -7.22 | Crippen Calculated Property | |
| logPoct/wat | 6.609 | Crippen Calculated Property | |
| McVol | 322.350 | ml/mol | McGowan Calculated Property |
| Pc | 1192.35 | kPa | Joback Calculated Property |
| Inp | 2539.00 | NIST | |
| Tboil | 940.73 | K | Joback Calculated Property |
| Tc | 1157.76 | K | Joback Calculated Property |
| Tfus | 584.47 | K | Joback Calculated Property |
| Vc | 1.238 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [988.86; 1056.16] | J/mol×K | [940.73; 1157.76] | 
|
| Cp,gas | 988.86 | J/mol×K | 940.73 | Joback Calculated Property |
| Cp,gas | 1002.86 | J/mol×K | 976.90 | Joback Calculated Property |
| Cp,gas | 1015.68 | J/mol×K | 1013.07 | Joback Calculated Property |
| Cp,gas | 1027.37 | J/mol×K | 1049.25 | Joback Calculated Property |
| Cp,gas | 1037.98 | J/mol×K | 1085.42 | Joback Calculated Property |
| Cp,gas | 1047.56 | J/mol×K | 1121.59 | Joback Calculated Property |
| Cp,gas | 1056.16 | J/mol×K | 1157.76 | Joback Calculated Property |
| η | [0.0000271; 0.0002679] | Pa×s | [584.47; 940.73] |
|
| η | 0.0002679 | Pa×s | 584.47 | Joback Calculated Property |
| η | 0.0001533 | Pa×s | 643.85 | Joback Calculated Property |
| η | 0.0000964 | Pa×s | 703.22 | Joback Calculated Property |
| η | 0.0000651 | Pa×s | 762.60 | Joback Calculated Property |
| η | 0.0000466 | Pa×s | 821.98 | Joback Calculated Property |
| η | 0.0000349 | Pa×s | 881.35 | Joback Calculated Property |
| η | 0.0000271 | Pa×s | 940.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 3,5-dichlorophenyl octyl ester.
Sources
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