- InChI
- InChI=1S/C5H7Cl3O2/c6-2-1-3-10-5(9)4(7)8/h4H,1-3H2
- InChI Key
- UFOHDQGORXKWPB-UHFFFAOYSA-N
- Formula
- C5H7Cl3O2
- SMILES
- O=C(OCCCCl)C(Cl)Cl
- Molecular Weight1
- 205.47
- Other Names
-
- 1-Propanol, 3-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° | -280.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -443.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.65 | kJ/mol | Joback Calculated Property |
| log10WS | -1.84 | Crippen Calculated Property | |
| logPoct/wat | 1.962 | Crippen Calculated Property | |
| McVol | 125.470 | ml/mol | McGowan Calculated Property |
| Pc | 3246.73 | kPa | Joback Calculated Property |
| Inp | [1163.00; 1212.00] |
|
|
| Inp | 1190.00 | NIST | |
| Inp | 1163.00 | NIST | |
| Inp | 1209.00 | NIST | |
| Inp | 1212.00 | NIST | |
| Inp | 1197.00 | NIST | |
| Inp | 1190.00 | NIST | |
| I | [1923.00; 1978.00] |
|
|
| I | 1923.00 | NIST | |
| I | 1954.00 | NIST | |
| I | 1959.00 | NIST | |
| I | 1971.00 | NIST | |
| I | 1978.00 | NIST | |
| I | 1923.00 | NIST | |
| Tboil | 501.94 | K | Joback Calculated Property |
| Tc | 704.56 | K | Joback Calculated Property |
| Tfus | 293.03 | K | Joback Calculated Property |
| Vc | 0.480 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [231.25; 272.85] | J/mol×K | [501.94; 704.56] |
|
| Cp,gas | 231.25 | J/mol×K | 501.94 | Joback Calculated Property |
| Cp,gas | 239.12 | J/mol×K | 535.71 | Joback Calculated Property |
| Cp,gas | 246.61 | J/mol×K | 569.48 | Joback Calculated Property |
| Cp,gas | 253.73 | J/mol×K | 603.25 | Joback Calculated Property |
| Cp,gas | 260.47 | J/mol×K | 637.02 | Joback Calculated Property |
| Cp,gas | 266.84 | J/mol×K | 670.79 | Joback Calculated Property |
| Cp,gas | 272.85 | J/mol×K | 704.56 | Joback Calculated Property |
| η | [0.0003111; 0.0034866] | Pa×s | [293.03; 501.94] |
|
| η | 0.0034866 | Pa×s | 293.03 | Joback Calculated Property |
| η | 0.0018820 | Pa×s | 327.85 | Joback Calculated Property |
| η | 0.0011435 | Pa×s | 362.67 | Joback Calculated Property |
| η | 0.0007582 | Pa×s | 397.49 | Joback Calculated Property |
| η | 0.0005371 | Pa×s | 432.30 | Joback Calculated Property |
| η | 0.0004006 | Pa×s | 467.12 | Joback Calculated Property |
| η | 0.0003111 | Pa×s | 501.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-chloropropyl dichloroacetate.
Sources
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