- InChI
- InChI=1S/C7H11Cl3O2/c1-2-3-5(8)4-12-7(11)6(9)10/h5-6H,2-4H2,1H3
- InChI Key
- ZPFQFDKDKWCBFM-UHFFFAOYSA-N
- Formula
- C7H11Cl3O2
- SMILES
- CCCC(Cl)COC(=O)C(Cl)Cl
- Molecular Weight1
- 233.52
- Other Names
-
- 1-Pentanol, 2-chloro, dichloroacetate
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5007 | Relay (1.0) Calculated Property | |
| ΔfG° | -266.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -550.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.741 | Crippen Calculated Property | |
| McVol | 153.650 | ml/mol | McGowan Calculated Property |
| Pc | 2659.77 | kPa | Joback Calculated Property |
| Inp | [1268.00; 1324.00] |
|
|
| Inp | 1268.00 | NIST | |
| Inp | 1313.00 | NIST | |
| Inp | 1322.00 | NIST | |
| Inp | 1324.00 | NIST | |
| I | [1950.00; 1961.00] |
|
|
| I | 1952.00 | NIST | |
| I | 1950.00 | NIST | |
| I | 1958.00 | NIST | |
| I | 1961.00 | NIST | |
| I | 1952.00 | NIST | |
| Tboil | 502.68 | K | Relay (1.0) Calculated Property |
| Tc | 703.17 | K | Relay (1.0) Calculated Property |
| Tfus | 255.46 | K | Relay (1.0) Calculated Property |
| Vc | 0.544 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [315.72; 370.28] | J/mol×K | [547.26; 748.45] |
|
| Cp,gas | 315.72 | J/mol×K | 547.26 | Joback Calculated Property |
| Cp,gas | 326.11 | J/mol×K | 580.79 | Joback Calculated Property |
| Cp,gas | 335.97 | J/mol×K | 614.32 | Joback Calculated Property |
| Cp,gas | 345.31 | J/mol×K | 647.85 | Joback Calculated Property |
| Cp,gas | 354.14 | J/mol×K | 681.39 | Joback Calculated Property |
| Cp,gas | 362.46 | J/mol×K | 714.92 | Joback Calculated Property |
| Cp,gas | 370.28 | J/mol×K | 748.45 | Joback Calculated Property |
| η | [0.0002372; 0.0042701] | Pa×s | [300.57; 547.26] |
|
| η | 0.0042701 | Pa×s | 300.57 | Joback Calculated Property |
| η | 0.0019739 | Pa×s | 341.69 | Joback Calculated Property |
| η | 0.0010770 | Pa×s | 382.80 | Joback Calculated Property |
| η | 0.0006609 | Pa×s | 423.92 | Joback Calculated Property |
| η | 0.0004421 | Pa×s | 465.03 | Joback Calculated Property |
| η | 0.0003157 | Pa×s | 506.14 | Joback Calculated Property |
| η | 0.0002372 | Pa×s | 547.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-chloropentyl dichloroacetate.
Sources
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