- InChI
- InChI=1S/C7H11Cl3O2/c8-4-2-1-3-5-12-7(11)6(9)10/h6H,1-5H2
- InChI Key
- CDYDOVYLGRVGGJ-UHFFFAOYSA-N
- Formula
- C7H11Cl3O2
- SMILES
- O=C(OCCCCCCl)C(Cl)Cl
- Molecular Weight1
- 233.52
- Other Names
-
- 1-Pentanol, 5-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° | -264.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -485.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.10 | kJ/mol | Joback Calculated Property |
| log10WS | -2.68 | Crippen Calculated Property | |
| logPoct/wat | 2.742 | Crippen Calculated Property | |
| McVol | 153.650 | ml/mol | McGowan Calculated Property |
| Pc | 2637.96 | kPa | Joback Calculated Property |
| Inp | [1432.00; 1446.00] |
|
|
| Inp | 1432.00 | NIST | |
| Inp | 1440.00 | NIST | |
| Inp | 1446.00 | NIST | |
| I | [2182.00; 2215.00] |
|
|
| I | 2182.00 | NIST | |
| I | 2189.00 | NIST | |
| I | 2205.00 | NIST | |
| I | 2215.00 | NIST | |
| Tboil | 547.70 | K | Joback Calculated Property |
| Tc | 744.75 | K | Joback Calculated Property |
| Tfus | 315.57 | K | Joback Calculated Property |
| Vc | 0.593 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [315.34; 368.70] | J/mol×K | [547.70; 744.75] |
|
| Cp,gas | 315.34 | J/mol×K | 547.70 | Joback Calculated Property |
| Cp,gas | 325.45 | J/mol×K | 580.54 | Joback Calculated Property |
| Cp,gas | 335.07 | J/mol×K | 613.38 | Joback Calculated Property |
| Cp,gas | 344.20 | J/mol×K | 646.23 | Joback Calculated Property |
| Cp,gas | 352.84 | J/mol×K | 679.07 | Joback Calculated Property |
| Cp,gas | 361.00 | J/mol×K | 711.91 | Joback Calculated Property |
| Cp,gas | 368.70 | J/mol×K | 744.75 | Joback Calculated Property |
| η | [0.0002524; 0.0031931] | Pa×s | [315.57; 547.70] |
|
| η | 0.0031931 | Pa×s | 315.57 | Joback Calculated Property |
| η | 0.0016604 | Pa×s | 354.26 | Joback Calculated Property |
| η | 0.0009820 | Pa×s | 392.95 | Joback Calculated Property |
| η | 0.0006382 | Pa×s | 431.63 | Joback Calculated Property |
| η | 0.0004452 | Pa×s | 470.32 | Joback Calculated Property |
| η | 0.0003280 | Pa×s | 509.01 | Joback Calculated Property |
| η | 0.0002524 | Pa×s | 547.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-chloropentyl dichloroacetate.
Sources
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