- InChI
- InChI=1S/C6H8Cl4O2/c7-3-1-2-4-12-5(11)6(8,9)10/h1-4H2
- InChI Key
- JMIOMLKQYQMROM-UHFFFAOYSA-N
- Formula
- C6H8Cl4O2
- SMILES
- O=C(OCCCCCl)C(Cl)(Cl)Cl
- Molecular Weight1
- 253.94
- Other Names
-
- 1-Butanol, 4-chloro, trichloroacetate
- 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° | -279.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -483.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.35 | kJ/mol | Joback Calculated Property |
| log10WS | -2.91 | Crippen Calculated Property | |
| logPoct/wat | 2.919 | Crippen Calculated Property | |
| McVol | 151.800 | ml/mol | McGowan Calculated Property |
| Pc | 2838.39 | kPa | Joback Calculated Property |
| Inp | [1364.00; 1413.00] |
|
|
| Inp | 1364.00 | NIST | |
| Inp | 1365.00 | NIST | |
| Inp | 1403.00 | NIST | |
| Inp | 1413.00 | NIST | |
| Inp | 1364.00 | NIST | |
| I | [2023.00; 2093.00] |
|
|
| I | 2023.00 | NIST | |
| I | 2050.00 | NIST | |
| I | 2061.00 | NIST | |
| I | 2079.00 | NIST | |
| I | 2093.00 | NIST | |
| I | 2023.00 | NIST | |
| Tboil | 559.46 | K | Joback Calculated Property |
| Tc | 771.93 | K | Joback Calculated Property |
| Tfus | 351.64 | K | Joback Calculated Property |
| Vc | 0.581 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [297.80; 341.96] | J/mol×K | [559.46; 771.93] |
|
| Cp,gas | 297.80 | J/mol×K | 559.46 | Joback Calculated Property |
| Cp,gas | 306.58 | J/mol×K | 594.87 | Joback Calculated Property |
| Cp,gas | 314.75 | J/mol×K | 630.28 | Joback Calculated Property |
| Cp,gas | 322.34 | J/mol×K | 665.70 | Joback Calculated Property |
| Cp,gas | 329.39 | J/mol×K | 701.11 | Joback Calculated Property |
| Cp,gas | 335.92 | J/mol×K | 736.52 | Joback Calculated Property |
| Cp,gas | 341.96 | J/mol×K | 771.93 | Joback Calculated Property |
| η | [0.0002566; 0.0025384] | Pa×s | [351.64; 559.46] |
|
| η | 0.0025384 | Pa×s | 351.64 | Joback Calculated Property |
| η | 0.0014598 | Pa×s | 386.28 | Joback Calculated Property |
| η | 0.0009195 | Pa×s | 420.91 | Joback Calculated Property |
| η | 0.0006214 | Pa×s | 455.55 | Joback Calculated Property |
| η | 0.0004438 | Pa×s | 490.19 | Joback Calculated Property |
| η | 0.0003314 | Pa×s | 524.82 | Joback Calculated Property |
| η | 0.0002566 | Pa×s | 559.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-chlorobutyl trichloroacetate.
Sources
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