- InChI
- InChI=1S/C17H21Cl3O4/c1-5-17(6-2,15(21)23-9-10(3)4)16(22)24-13-8-11(18)7-12(19)14(13)20/h7-8,10H,5-6,9H2,1-4H3
- InChI Key
- PIEUULUGBGCTDL-UHFFFAOYSA-N
- Formula
- C17H21Cl3O4
- SMILES
-
CCC(CC)(C(=O)OCC(C)C)C(=O)Oc1c
c(Cl)cc(Cl)c1Cl - Molecular Weight1
- 395.70
- 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° | -327.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -742.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.48 | kJ/mol | Joback Calculated Property |
| log10WS | -5.99 | Crippen Calculated Property | |
| logPoct/wat | 5.558 | Crippen Calculated Property | |
| McVol | 278.230 | ml/mol | McGowan Calculated Property |
| Pc | 1530.66 | kPa | Joback Calculated Property |
| Inp | [2292.00; 2292.00] |
|
|
| Inp | 2292.00 | NIST | |
| Inp | 2292.00 | NIST | |
| Tboil | 891.18 | K | Joback Calculated Property |
| Tc | 1114.69 | K | Joback Calculated Property |
| Tfus | 566.83 | K | Joback Calculated Property |
| Vc | 1.058 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [778.49; 834.93] | J/mol×K | [891.18; 1114.69] |
|
| Cp,gas | 778.49 | J/mol×K | 891.18 | Joback Calculated Property |
| Cp,gas | 790.52 | J/mol×K | 928.43 | Joback Calculated Property |
| Cp,gas | 801.45 | J/mol×K | 965.68 | Joback Calculated Property |
| Cp,gas | 811.32 | J/mol×K | 1002.93 | Joback Calculated Property |
| Cp,gas | 820.17 | J/mol×K | 1040.19 | Joback Calculated Property |
| Cp,gas | 828.03 | J/mol×K | 1077.44 | Joback Calculated Property |
| Cp,gas | 834.93 | J/mol×K | 1114.69 | Joback Calculated Property |
| η | [0.0000393; 0.0003309] | Pa×s | [566.83; 891.18] |
|
| η | 0.0003309 | Pa×s | 566.83 | Joback Calculated Property |
| η | 0.0001987 | Pa×s | 620.89 | Joback Calculated Property |
| η | 0.0001295 | Pa×s | 674.95 | Joback Calculated Property |
| η | 0.0000899 | Pa×s | 729.00 | Joback Calculated Property |
| η | 0.0000657 | Pa×s | 783.06 | Joback Calculated Property |
| η | 0.0000499 | Pa×s | 837.12 | Joback Calculated Property |
| η | 0.0000393 | Pa×s | 891.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, isobutyl 2,3,5-trichlorophenyl ester.
Sources
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