- InChI
- InChI=1S/C7H11Cl3O2/c1-2-5(8)3-4-12-7(11)6(9)10/h5-6H,2-4H2,1H3
- InChI Key
- DBQHNSLUZJVUHR-UHFFFAOYSA-N
- Formula
- C7H11Cl3O2
- SMILES
- CCC(Cl)CCOC(=O)C(Cl)Cl
- Molecular Weight1
- 233.52
- Other Names
-
- 1-Pentanol, 3-chloro, dichloroacetate
- 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° | -266.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -490.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.71 | kJ/mol | Joback Calculated Property |
| log10WS | -2.79 | Crippen 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 | [1347.00; 1360.00] |
|
|
| Inp | 1347.00 | NIST | |
| Inp | 1356.00 | NIST | |
| Inp | 1360.00 | NIST | |
| I | [2014.00; 2036.00] |
|
|
| I | 2014.00 | NIST | |
| I | 2017.00 | NIST | |
| I | 2031.00 | NIST | |
| I | 2036.00 | NIST | |
| I | 2014.00 | NIST | |
| Tboil | 547.26 | K | Joback Calculated Property |
| Tc | 748.45 | K | Joback Calculated Property |
| Tfus | 300.57 | K | Joback Calculated Property |
| Vc | 0.587 | m3/kmol | Joback 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 3-chloropentyl dichloroacetate.
Sources
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