- InChI
- InChI=1S/C5H6Cl4O2/c6-2-1-3-11-4(10)5(7,8)9/h1-3H2
- InChI Key
- SUOYAKIYUAIFGY-UHFFFAOYSA-N
- Formula
- C5H6Cl4O2
- SMILES
- O=C(OCCCCl)C(Cl)(Cl)Cl
- Molecular Weight1
- 239.91
- Other Names
-
- 1-Propanol, 3-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° | -287.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -463.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.12 | kJ/mol | Joback Calculated Property |
| log10WS | -2.49 | Crippen Calculated Property | |
| logPoct/wat | 2.529 | Crippen Calculated Property | |
| McVol | 137.710 | ml/mol | McGowan Calculated Property |
| Pc | 3152.62 | kPa | Joback Calculated Property |
| Inp | [1249.00; 1294.00] |
|
|
| Inp | 1251.00 | NIST | |
| Inp | 1249.00 | NIST | |
| Inp | 1288.00 | NIST | |
| Inp | 1294.00 | NIST | |
| Inp | 1252.00 | NIST | |
| Inp | 1251.00 | NIST | |
| I | [1895.00; 1961.00] |
|
|
| I | 1895.00 | NIST | |
| I | 1921.00 | NIST | |
| I | 1931.00 | NIST | |
| I | 1944.00 | NIST | |
| I | 1961.00 | NIST | |
| I | 1895.00 | NIST | |
| Tboil | 536.58 | K | Joback Calculated Property |
| Tc | 752.64 | K | Joback Calculated Property |
| Tfus | 340.37 | K | Joback Calculated Property |
| Vc | 0.524 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [255.56; 293.88] | J/mol×K | [536.58; 752.64] |
|
| Cp,gas | 255.56 | J/mol×K | 536.58 | Joback Calculated Property |
| Cp,gas | 263.24 | J/mol×K | 572.59 | Joback Calculated Property |
| Cp,gas | 270.37 | J/mol×K | 608.60 | Joback Calculated Property |
| Cp,gas | 276.98 | J/mol×K | 644.61 | Joback Calculated Property |
| Cp,gas | 283.08 | J/mol×K | 680.62 | Joback Calculated Property |
| Cp,gas | 288.70 | J/mol×K | 716.63 | Joback Calculated Property |
| Cp,gas | 293.88 | J/mol×K | 752.64 | Joback Calculated Property |
| η | [0.0002928; 0.0027219] | Pa×s | [340.37; 536.58] |
|
| η | 0.0027219 | Pa×s | 340.37 | Joback Calculated Property |
| η | 0.0015950 | Pa×s | 373.07 | Joback Calculated Property |
| η | 0.0010187 | Pa×s | 405.77 | Joback Calculated Property |
| η | 0.0006957 | Pa×s | 438.48 | Joback Calculated Property |
| η | 0.0005009 | Pa×s | 471.18 | Joback Calculated Property |
| η | 0.0003763 | Pa×s | 503.88 | Joback Calculated Property |
| η | 0.0002928 | Pa×s | 536.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-chloropropyl trichloroacetate.
Sources
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