- InChI
- InChI=1S/C16H19Cl3O4/c1-4-5-6-7-22-14(20)16(2,3)15(21)23-12-9-10(17)8-11(18)13(12)19/h8-9H,4-7H2,1-3H3
- InChI Key
- LSGBEIHCRQPEGS-UHFFFAOYSA-N
- Formula
- C16H19Cl3O4
- SMILES
-
CCCCCOC(=O)C(C)(C)C(=O)Oc1cc(C
l)cc(Cl)c1Cl - Molecular Weight1
- 381.68
- 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° | -333.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -717.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.64 | kJ/mol | Joback Calculated Property |
| log10WS | -5.81 | Crippen Calculated Property | |
| logPoct/wat | 5.312 | Crippen Calculated Property | |
| McVol | 264.140 | ml/mol | McGowan Calculated Property |
| Pc | 1641.76 | kPa | Joback Calculated Property |
| Inp | 2327.00 | NIST | |
| Tboil | 868.74 | K | Joback Calculated Property |
| Tc | 1090.97 | K | Joback Calculated Property |
| Tfus | 570.56 | K | Joback Calculated Property |
| Vc | 1.008 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [721.62; 776.89] | J/mol×K | [868.74; 1090.97] | 
|
| Cp,gas | 721.62 | J/mol×K | 868.74 | Joback Calculated Property |
| Cp,gas | 733.30 | J/mol×K | 905.78 | Joback Calculated Property |
| Cp,gas | 743.96 | J/mol×K | 942.82 | Joback Calculated Property |
| Cp,gas | 753.61 | J/mol×K | 979.86 | Joback Calculated Property |
| Cp,gas | 762.30 | J/mol×K | 1016.89 | Joback Calculated Property |
| Cp,gas | 770.05 | J/mol×K | 1053.93 | Joback Calculated Property |
| Cp,gas | 776.89 | J/mol×K | 1090.97 | Joback Calculated Property |
| η | [0.0000500; 0.0003400] | Pa×s | [570.56; 868.74] |
|
| η | 0.0003400 | Pa×s | 570.56 | Joback Calculated Property |
| η | 0.0002173 | Pa×s | 620.26 | Joback Calculated Property |
| η | 0.0001484 | Pa×s | 669.95 | Joback Calculated Property |
| η | 0.0001069 | Pa×s | 719.65 | Joback Calculated Property |
| η | 0.0000803 | Pa×s | 769.35 | Joback Calculated Property |
| η | 0.0000624 | Pa×s | 819.04 | Joback Calculated Property |
| η | 0.0000500 | Pa×s | 868.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, pentyl 2,3,5-trichlorophenyl ester.
Sources
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