- InChI
- InChI=1S/C7H12Cl2O2/c1-2-3-6(9)4-7(10)11-5-8/h6H,2-5H2,1H3
- InChI Key
- FWVZTAJOBMVDDT-UHFFFAOYSA-N
- Formula
- C7H12Cl2O2
- SMILES
- CCCC(Cl)CC(=O)OCCl
- Molecular Weight1
- 199.07
- CAS
- 80418-54-8
- Other Names
-
- 3-Chlorohexanoic acid, chloromethyl ester
- 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.
- I : 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° | -252.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -469.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.71 | 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 | 2741.15 | kPa | Joback Calculated Property |
| Inp | [1214.00; 1229.00] |
|
|
| Inp | 1214.00 | NIST | |
| Inp | 1227.00 | NIST | |
| Inp | 1229.00 | NIST | |
| Inp | 1220.00 | NIST | |
| Inp | 1214.00 | NIST | |
| I | [1775.00; 1807.00] |
|
|
| I | 1775.00 | NIST | |
| I | 1786.00 | NIST | |
| I | 1807.00 | NIST | |
| I | 1775.00 | NIST | |
| Tboil | 510.27 | K | Joback Calculated Property |
| Tc | 702.42 | K | Joback Calculated Property |
| Tfus | 285.65 | K | Joback Calculated Property |
| Vc | 0.543 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [290.96; 347.98] | J/mol×K | [510.27; 702.42] |
|
| Cp,gas | 290.96 | J/mol×K | 510.27 | Joback Calculated Property |
| Cp,gas | 301.62 | J/mol×K | 542.29 | Joback Calculated Property |
| Cp,gas | 311.82 | J/mol×K | 574.32 | Joback Calculated Property |
| Cp,gas | 321.54 | J/mol×K | 606.34 | Joback Calculated Property |
| Cp,gas | 330.81 | J/mol×K | 638.37 | Joback Calculated Property |
| Cp,gas | 339.62 | J/mol×K | 670.39 | Joback Calculated Property |
| Cp,gas | 347.98 | J/mol×K | 702.42 | Joback Calculated Property |
| η | [0.0002658; 0.0037541] | Pa×s | [285.65; 510.27] |
|
| η | 0.0037541 | Pa×s | 285.65 | Joback Calculated Property |
| η | 0.0018698 | Pa×s | 323.09 | Joback Calculated Property |
| η | 0.0010763 | Pa×s | 360.52 | Joback Calculated Property |
| η | 0.0006874 | Pa×s | 397.96 | Joback Calculated Property |
| η | 0.0004742 | Pa×s | 435.40 | Joback Calculated Property |
| η | 0.0003470 | Pa×s | 472.83 | Joback Calculated Property |
| η | 0.0002658 | Pa×s | 510.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Chloromethyl 3-chlorohexanoate.
Sources
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