- InChI
- InChI=1S/C6H8Cl4O2/c1-2-3-4(7)12-5(11)6(8,9)10/h4H,2-3H2,1H3
- InChI Key
- DCRNHUUZGUDKLN-UHFFFAOYSA-N
- Formula
- C6H8Cl4O2
- SMILES
- CCCC(Cl)OC(=O)C(Cl)(Cl)Cl
- Molecular Weight1
- 253.94
- Other Names
-
- 1-Butanol, 1-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° | -281.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -488.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.96 | kJ/mol | Joback Calculated Property |
| log10WS | -3.52 | Crippen Calculated Property | |
| logPoct/wat | 3.265 | Crippen Calculated Property | |
| McVol | 151.800 | ml/mol | McGowan Calculated Property |
| Pc | 2862.74 | kPa | Joback Calculated Property |
| Inp | [1201.00; 1244.00] |
|
|
| Inp | 1208.00 | NIST | |
| Inp | 1201.00 | NIST | |
| Inp | 1237.00 | NIST | |
| Inp | 1244.00 | NIST | |
| I | [1647.00; 1678.00] |
|
|
| I | 1647.00 | NIST | |
| I | 1650.00 | NIST | |
| I | 1657.00 | NIST | |
| I | 1661.00 | NIST | |
| I | 1678.00 | NIST | |
| Tboil | 559.02 | K | Joback Calculated Property |
| Tc | 776.12 | K | Joback Calculated Property |
| Tfus | 336.64 | K | Joback Calculated Property |
| Vc | 0.575 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [298.23; 343.39] | J/mol×K | [559.02; 776.12] |
|
| Cp,gas | 298.23 | J/mol×K | 559.02 | Joback Calculated Property |
| Cp,gas | 307.26 | J/mol×K | 595.20 | Joback Calculated Property |
| Cp,gas | 315.65 | J/mol×K | 631.39 | Joback Calculated Property |
| Cp,gas | 323.42 | J/mol×K | 667.57 | Joback Calculated Property |
| Cp,gas | 330.62 | J/mol×K | 703.76 | Joback Calculated Property |
| Cp,gas | 337.27 | J/mol×K | 739.94 | Joback Calculated Property |
| Cp,gas | 343.39 | J/mol×K | 776.12 | Joback Calculated Property |
| η | [0.0002408; 0.0032699] | Pa×s | [336.64; 559.02] |
|
| η | 0.0032699 | Pa×s | 336.64 | Joback Calculated Property |
| η | 0.0017065 | Pa×s | 373.70 | Joback Calculated Property |
| η | 0.0010015 | Pa×s | 410.77 | Joback Calculated Property |
| η | 0.0006420 | Pa×s | 447.83 | Joback Calculated Property |
| η | 0.0004404 | Pa×s | 484.89 | Joback Calculated Property |
| η | 0.0003188 | Pa×s | 521.96 | Joback Calculated Property |
| η | 0.0002408 | Pa×s | 559.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-chlorobutyl trichloroacetate.
Sources
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