- InChI
- InChI=1S/C7H12Cl2O2/c1-5(2)6(10)11-7(3,9)4-8/h5H,4H2,1-3H3
- InChI Key
- KYRAJGTUGZGYCT-UHFFFAOYSA-N
- Formula
- C7H12Cl2O2
- SMILES
- CC(C)C(=O)OC(C)(Cl)CCl
- Molecular Weight1
- 199.07
- 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° | -249.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -478.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.42 | kJ/mol | Joback Calculated Property |
| log10WS | -2.29 | Crippen Calculated Property | |
| logPoct/wat | 2.379 | Crippen Calculated Property | |
| McVol | 141.410 | ml/mol | McGowan Calculated Property |
| Pc | 2796.51 | kPa | Joback Calculated Property |
| Inp | [1158.00; 1158.00] |
|
|
| Inp | 1158.00 | NIST | |
| Inp | 1158.00 | NIST | |
| Tboil | 507.04 | K | Joback Calculated Property |
| Tc | 711.27 | K | Joback Calculated Property |
| Tfus | 288.07 | K | Joback Calculated Property |
| Vc | 0.532 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [294.39; 354.21] | J/mol×K | [507.04; 711.27] |
|
| Cp,gas | 294.39 | J/mol×K | 507.04 | Joback Calculated Property |
| Cp,gas | 305.93 | J/mol×K | 541.08 | Joback Calculated Property |
| Cp,gas | 316.82 | J/mol×K | 575.12 | Joback Calculated Property |
| Cp,gas | 327.06 | J/mol×K | 609.16 | Joback Calculated Property |
| Cp,gas | 336.69 | J/mol×K | 643.19 | Joback Calculated Property |
| Cp,gas | 345.73 | J/mol×K | 677.23 | Joback Calculated Property |
| Cp,gas | 354.21 | J/mol×K | 711.27 | Joback Calculated Property |
| η | [0.0002558; 0.0048226] | Pa×s | [288.07; 507.04] |
|
| η | 0.0048226 | Pa×s | 288.07 | Joback Calculated Property |
| η | 0.0022450 | Pa×s | 324.56 | Joback Calculated Property |
| η | 0.0012198 | Pa×s | 361.06 | Joback Calculated Property |
| η | 0.0007413 | Pa×s | 397.55 | Joback Calculated Property |
| η | 0.0004899 | Pa×s | 434.05 | Joback Calculated Property |
| η | 0.0003452 | Pa×s | 470.54 | Joback Calculated Property |
| η | 0.0002558 | Pa×s | 507.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Dichloroisopropyl isobutyrate.
Sources
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