- InChI
- InChI=1S/C20H27Cl3O4/c1-4-7-8-9-10-13-26-18(24)20(5-2,6-3)19(25)27-17-15(22)12-11-14(21)16(17)23/h11-12H,4-10,13H2,1-3H3
- InChI Key
- MYJTWDRNHASKLF-UHFFFAOYSA-N
- Formula
- C20H27Cl3O4
- SMILES
-
CCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1
c(Cl)ccc(Cl)c1Cl - Molecular Weight1
- 437.79
- 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° | -299.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -799.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.55 | kJ/mol | Joback Calculated Property |
| log10WS | -7.48 | Crippen Calculated Property | |
| logPoct/wat | 6.872 | Crippen Calculated Property | |
| McVol | 320.500 | ml/mol | McGowan Calculated Property |
| Pc | 1229.42 | kPa | Joback Calculated Property |
| Inp | [2698.00; 2698.00] |
|
|
| Inp | 2698.00 | NIST | |
| Inp | 2698.00 | NIST | |
| Tboil | 960.26 | K | Joback Calculated Property |
| Tc | 1182.24 | K | Joback Calculated Property |
| Tfus | 615.64 | K | Joback Calculated Property |
| Vc | 1.232 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [951.39; 1010.21] | J/mol×K | [960.26; 1182.24] |
|
| Cp,gas | 951.39 | J/mol×K | 960.26 | Joback Calculated Property |
| Cp,gas | 963.93 | J/mol×K | 997.26 | Joback Calculated Property |
| Cp,gas | 975.32 | J/mol×K | 1034.25 | Joback Calculated Property |
| Cp,gas | 985.60 | J/mol×K | 1071.25 | Joback Calculated Property |
| Cp,gas | 994.81 | J/mol×K | 1108.25 | Joback Calculated Property |
| Cp,gas | 1003.00 | J/mol×K | 1145.24 | Joback Calculated Property |
| Cp,gas | 1010.21 | J/mol×K | 1182.24 | Joback Calculated Property |
| η | [0.0000270; 0.0002155] | Pa×s | [615.64; 960.26] |
|
| η | 0.0002155 | Pa×s | 615.64 | Joback Calculated Property |
| η | 0.0001315 | Pa×s | 673.08 | Joback Calculated Property |
| η | 0.0000867 | Pa×s | 730.51 | Joback Calculated Property |
| η | 0.0000608 | Pa×s | 787.95 | Joback Calculated Property |
| η | 0.0000447 | Pa×s | 845.39 | Joback Calculated Property |
| η | 0.0000342 | Pa×s | 902.82 | Joback Calculated Property |
| η | 0.0000270 | Pa×s | 960.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, heptyl 2,3,6-trichlorophenyl ester.
Sources
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