- InChI
- InChI=1S/C6H9Cl3O2/c7-3-1-2-4-11-6(10)5(8)9/h5H,1-4H2
- InChI Key
- QBXNHPCFNUVPAE-UHFFFAOYSA-N
- Formula
- C6H9Cl3O2
- SMILES
- O=C(OCCCCCl)C(Cl)Cl
- Molecular Weight1
- 219.49
- Other Names
-
- 1-Butanol, 4-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° | -272.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -464.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.87 | kJ/mol | Joback Calculated Property |
| log10WS | -2.26 | Crippen Calculated Property | |
| logPoct/wat | 2.352 | Crippen Calculated Property | |
| McVol | 139.560 | ml/mol | McGowan Calculated Property |
| Pc | 2918.68 | kPa | Joback Calculated Property |
| Inp | [1302.00; 1332.00] |
|
|
| Inp | 1302.00 | NIST | |
| Inp | 1308.00 | NIST | |
| Inp | 1325.00 | NIST | |
| Inp | 1332.00 | NIST | |
| Inp | 1302.00 | NIST | |
| I | [2044.00; 2106.00] |
|
|
| I | 2044.00 | NIST | |
| I | 2076.00 | NIST | |
| I | 2083.00 | NIST | |
| I | 2097.00 | NIST | |
| I | 2106.00 | NIST | |
| Tboil | 524.82 | K | Joback Calculated Property |
| Tc | 724.62 | K | Joback Calculated Property |
| Tfus | 304.30 | K | Joback Calculated Property |
| Vc | 0.536 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [272.31; 320.14] | J/mol×K | [524.82; 724.62] |
|
| Cp,gas | 272.31 | J/mol×K | 524.82 | Joback Calculated Property |
| Cp,gas | 281.37 | J/mol×K | 558.12 | Joback Calculated Property |
| Cp,gas | 289.98 | J/mol×K | 591.42 | Joback Calculated Property |
| Cp,gas | 298.17 | J/mol×K | 624.72 | Joback Calculated Property |
| Cp,gas | 305.92 | J/mol×K | 658.02 | Joback Calculated Property |
| Cp,gas | 313.24 | J/mol×K | 691.32 | Joback Calculated Property |
| Cp,gas | 320.14 | J/mol×K | 724.62 | Joback Calculated Property |
| η | [0.0002812; 0.0033548] | Pa×s | [304.30; 524.82] |
|
| η | 0.0033548 | Pa×s | 304.30 | Joback Calculated Property |
| η | 0.0017763 | Pa×s | 341.05 | Joback Calculated Property |
| η | 0.0010644 | Pa×s | 377.81 | Joback Calculated Property |
| η | 0.0006984 | Pa×s | 414.56 | Joback Calculated Property |
| η | 0.0004909 | Pa×s | 451.31 | Joback Calculated Property |
| η | 0.0003638 | Pa×s | 488.07 | Joback Calculated Property |
| η | 0.0002812 | Pa×s | 524.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-chlorobutyl dichloroacetate.
Sources
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