- 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
- Other Names
-
- 4-Chloropentanoic acid, chloromethyl ester
- Monochloromethyl 4-chloropentanoate
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -541.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.44 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.133 | Crippen Calculated Property | |
| McVol | 127.320 | ml/mol | McGowan 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 | 1730.00 | NIST | |
| I | 1749.00 | NIST | |
| I | 1760.00 | NIST | |
| I | 1780.00 | NIST | |
| Tboil | 480.66 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [246.37; 298.73] | J/mol×K | [469.52; 660.92] |
|
| Cp,gas | 246.37 | J/mol×K | 469.52 | Joback Calculated Property |
| Cp,gas | 256.21 | J/mol×K | 501.42 | Joback Calculated Property |
| Cp,gas | 265.60 | J/mol×K | 533.32 | Joback Calculated Property |
| Cp,gas | 274.54 | J/mol×K | 565.22 | Joback Calculated Property |
| Cp,gas | 283.04 | J/mol×K | 597.12 | Joback Calculated Property |
| Cp,gas | 291.10 | J/mol×K | 629.02 | Joback Calculated Property |
| Cp,gas | 298.73 | J/mol×K | 660.92 | Joback Calculated Property |
| η | [0.0002748; 0.0069060] | Pa×s | [244.55; 469.52] |
|
| η | 0.0069060 | Pa×s | 244.55 | Joback Calculated Property |
| η | 0.0028231 | Pa×s | 282.05 | Joback Calculated Property |
| η | 0.0014236 | Pa×s | 319.54 | Joback Calculated Property |
| η | 0.0008289 | Pa×s | 357.03 | Joback Calculated Property |
| η | 0.0005349 | Pa×s | 394.53 | Joback Calculated Property |
| η | 0.0003725 | Pa×s | 432.02 | Joback Calculated Property |
| η | 0.0002748 | Pa×s | 469.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to CHLOROMETHYL 4-CHLOROPENTANOATE.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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