- InChI
- InChI=1S/C6H10Cl2O2/c1-5(8)2-3-6(9)10-4-7/h5H,2-4H2,1H3
- InChI Key
- BTDLLBKQZJSWTP-UHFFFAOYSA-N
- Formula
- C6H10Cl2O2
- SMILES
- CC(Cl)CCC(=O)OCCl
- Molecular Weight1
- 185.05
- CAS
- 80418-52-6
- Other Names
-
- 4-Chloropentanoic acid, chloromethyl ester
- Monochloromethyl 4-chloropentanoate
- 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° | -260.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -448.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.49 | kJ/mol | Joback Calculated Property |
| log10WS | -2.11 | Crippen Calculated Property | |
| logPoct/wat | 2.133 | Crippen Calculated Property | |
| McVol | 127.320 | ml/mol | McGowan Calculated Property |
| Pc | 3038.96 | kPa | Joback Calculated Property |
| Inp | [1153.00; 1166.00] |
|
|
| Inp | 1166.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1160.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1166.00 | NIST | |
| I | [1730.00; 1780.00] |
|
|
| I | 1730.00 | NIST | |
| I | 1749.00 | NIST | |
| I | 1760.00 | NIST | |
| I | 1780.00 | NIST | |
| I | 1730.00 | NIST | |
| Tboil | 487.39 | K | Joback Calculated Property |
| Tc | 681.93 | K | Joback Calculated Property |
| Tfus | 274.38 | K | Joback Calculated Property |
| Vc | 0.487 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [249.20; 300.33] | J/mol×K | [487.39; 681.93] |
|
| Cp,gas | 249.20 | J/mol×K | 487.39 | Joback Calculated Property |
| Cp,gas | 258.74 | J/mol×K | 519.81 | Joback Calculated Property |
| Cp,gas | 267.87 | J/mol×K | 552.24 | Joback Calculated Property |
| Cp,gas | 276.59 | J/mol×K | 584.66 | Joback Calculated Property |
| Cp,gas | 284.91 | J/mol×K | 617.08 | Joback Calculated Property |
| Cp,gas | 292.82 | J/mol×K | 649.50 | Joback Calculated Property |
| Cp,gas | 300.33 | J/mol×K | 681.93 | Joback Calculated Property |
| η | [0.0002910; 0.0038678] | Pa×s | [274.38; 487.39] |
|
| η | 0.0038678 | Pa×s | 274.38 | Joback Calculated Property |
| η | 0.0019631 | Pa×s | 309.88 | Joback Calculated Property |
| η | 0.0011455 | Pa×s | 345.38 | Joback Calculated Property |
| η | 0.0007390 | Pa×s | 380.88 | Joback Calculated Property |
| η | 0.0005137 | Pa×s | 416.39 | Joback Calculated Property |
| η | 0.0003781 | Pa×s | 451.89 | Joback Calculated Property |
| η | 0.0002910 | Pa×s | 487.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Chloromethyl 4-chloropentanoate.
Sources
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