- InChI
- InChI=1S/C7H12Cl2O2/c1-3-4-6(10)11-7(2,9)5-8/h3-5H2,1-2H3
- InChI Key
- QDOBHQKYXRPNEU-UHFFFAOYSA-N
- Formula
- C7H12Cl2O2
- SMILES
- CCCC(=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° | -246.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -472.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.81 | kJ/mol | Joback Calculated Property |
| log10WS | -2.53 | Crippen Calculated Property | |
| logPoct/wat | 2.524 | Crippen Calculated Property | |
| McVol | 141.410 | ml/mol | McGowan Calculated Property |
| Pc | 2773.00 | kPa | Joback Calculated Property |
| Inp | 1200.00 | NIST | |
| Tboil | 507.48 | K | Joback Calculated Property |
| Tc | 707.27 | K | Joback Calculated Property |
| Tfus | 303.07 | K | Joback Calculated Property |
| Vc | 0.538 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [294.12; 352.51] | J/mol×K | [507.48; 707.27] | 
|
| Cp,gas | 294.12 | J/mol×K | 507.48 | Joback Calculated Property |
| Cp,gas | 305.33 | J/mol×K | 540.78 | Joback Calculated Property |
| Cp,gas | 315.93 | J/mol×K | 574.08 | Joback Calculated Property |
| Cp,gas | 325.92 | J/mol×K | 607.38 | Joback Calculated Property |
| Cp,gas | 335.33 | J/mol×K | 640.67 | Joback Calculated Property |
| Cp,gas | 344.19 | J/mol×K | 673.97 | Joback Calculated Property |
| Cp,gas | 352.51 | J/mol×K | 707.27 | Joback Calculated Property |
| η | [0.0002706; 0.0034763] | Pa×s | [303.07; 507.48] |
|
| η | 0.0034763 | Pa×s | 303.07 | Joback Calculated Property |
| η | 0.0018321 | Pa×s | 337.14 | Joback Calculated Property |
| η | 0.0010860 | Pa×s | 371.21 | Joback Calculated Property |
| η | 0.0007029 | Pa×s | 405.28 | Joback Calculated Property |
| η | 0.0004867 | Pa×s | 439.34 | Joback Calculated Property |
| η | 0.0003553 | Pa×s | 473.41 | Joback Calculated Property |
| η | 0.0002706 | Pa×s | 507.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Dichloroisopropyl butyrate.
Sources
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