- InChI
- InChI=1S/C5H6Cl4O2/c1-3(6)2-11-4(10)5(7,8)9/h3H,2H2,1H3
- InChI Key
- GXXHSZQJOWRTGY-UHFFFAOYSA-N
- Formula
- C5H6Cl4O2
- SMILES
- CC(Cl)COC(=O)C(Cl)(Cl)Cl
- Molecular Weight1
- 239.91
- Other Names
-
- 1-Propanol, 2-chloro, trichloroacetate
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.3884 | Relay (1.0) Calculated Property | |
| ΔfG° | -290.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -494.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.527 | Crippen Calculated Property | |
| McVol | 137.710 | ml/mol | McGowan Calculated Property |
| Pc | 3181.14 | kPa | Joback Calculated Property |
| Inp | [1172.00; 1217.00] |
|
|
| Inp | 1176.00 | NIST | |
| Inp | 1172.00 | NIST | |
| Inp | 1210.00 | NIST | |
| Inp | 1217.00 | NIST | |
| Inp | 1180.00 | NIST | |
| Inp | 1176.00 | NIST | |
| I | [1765.00; 1809.00] |
|
|
| I | 1765.00 | NIST | |
| I | 1778.00 | NIST | |
| I | 1784.00 | NIST | |
| I | 1794.00 | NIST | |
| I | 1809.00 | NIST | |
| I | 1765.00 | NIST | |
| Tboil | 488.51 | K | Relay (1.0) Calculated Property |
| Tc | 689.83 | K | Relay (1.0) Calculated Property |
| Tfus | 290.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.483 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [255.96; 295.24] | J/mol×K | [536.14; 757.08] |
|
| Cp,gas | 255.96 | J/mol×K | 536.14 | Joback Calculated Property |
| Cp,gas | 263.88 | J/mol×K | 572.96 | Joback Calculated Property |
| Cp,gas | 271.22 | J/mol×K | 609.79 | Joback Calculated Property |
| Cp,gas | 278.00 | J/mol×K | 646.61 | Joback Calculated Property |
| Cp,gas | 284.24 | J/mol×K | 683.43 | Joback Calculated Property |
| Cp,gas | 289.98 | J/mol×K | 720.26 | Joback Calculated Property |
| Cp,gas | 295.24 | J/mol×K | 757.08 | Joback Calculated Property |
| η | [0.0002757; 0.0035419] | Pa×s | [325.37; 536.14] |
|
| η | 0.0035419 | Pa×s | 325.37 | Joback Calculated Property |
| η | 0.0018810 | Pa×s | 360.50 | Joback Calculated Property |
| η | 0.0011178 | Pa×s | 395.63 | Joback Calculated Property |
| η | 0.0007231 | Pa×s | 430.75 | Joback Calculated Property |
| η | 0.0004995 | Pa×s | 465.88 | Joback Calculated Property |
| η | 0.0003634 | Pa×s | 501.01 | Joback Calculated Property |
| η | 0.0002757 | Pa×s | 536.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-chloropropyl trichloroacetate.
Sources
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