- InChI
- InChI=1S/C9H16Cl2O2/c1-3-4-5-6-8(12)13-9(2,11)7-10/h3-7H2,1-2H3
- InChI Key
- HTCULUNCUAOAOX-UHFFFAOYSA-N
- Formula
- C9H16Cl2O2
- SMILES
- CCCCCC(=O)OC(C)(Cl)CCl
- Molecular Weight1
- 227.13
- 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° | -230.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -514.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.26 | kJ/mol | Joback Calculated Property |
| log10WS | -3.37 | Crippen Calculated Property | |
| logPoct/wat | 3.304 | Crippen Calculated Property | |
| McVol | 169.590 | ml/mol | McGowan Calculated Property |
| Pc | 2287.14 | kPa | Joback Calculated Property |
| Inp | [1394.00; 1413.00] |
|
|
| Inp | 1413.00 | NIST | |
| Inp | 1394.00 | NIST | |
| Tboil | 553.24 | K | Joback Calculated Property |
| Tc | 747.71 | K | Joback Calculated Property |
| Tfus | 325.61 | K | Joback Calculated Property |
| Vc | 0.650 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [383.39; 451.30] | J/mol×K | [553.24; 747.71] |
|
| Cp,gas | 383.39 | J/mol×K | 553.24 | Joback Calculated Property |
| Cp,gas | 396.39 | J/mol×K | 585.65 | Joback Calculated Property |
| Cp,gas | 408.67 | J/mol×K | 618.06 | Joback Calculated Property |
| Cp,gas | 420.28 | J/mol×K | 650.48 | Joback Calculated Property |
| Cp,gas | 431.24 | J/mol×K | 682.89 | Joback Calculated Property |
| Cp,gas | 441.57 | J/mol×K | 715.30 | Joback Calculated Property |
| Cp,gas | 451.30 | J/mol×K | 747.71 | Joback Calculated Property |
| η | [0.0002131; 0.0030630] | Pa×s | [325.61; 553.24] |
|
| η | 0.0030630 | Pa×s | 325.61 | Joback Calculated Property |
| η | 0.0015580 | Pa×s | 363.55 | Joback Calculated Property |
| η | 0.0009004 | Pa×s | 401.49 | Joback Calculated Property |
| η | 0.0005721 | Pa×s | 439.43 | Joback Calculated Property |
| η | 0.0003906 | Pa×s | 477.36 | Joback Calculated Property |
| η | 0.0002822 | Pa×s | 515.30 | Joback Calculated Property |
| η | 0.0002131 | Pa×s | 553.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Dichloroisopropyl hexanoate.
Sources
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