- InChI
- InChI=1S/C5H7Cl3O2/c1-2-3(6)10-5(9)4(7)8/h3-4H,2H2,1H3
- InChI Key
- QAKGXSXQZRMVOZ-UHFFFAOYSA-N
- Formula
- C5H7Cl3O2
- SMILES
- CCC(Cl)OC(=O)C(Cl)Cl
- Molecular Weight1
- 205.47
- Other Names
-
- 1-Propanol, 1-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° | -283.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -449.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.26 | kJ/mol | Joback Calculated Property |
| log10WS | -2.45 | Crippen Calculated Property | |
| logPoct/wat | 2.308 | Crippen Calculated Property | |
| McVol | 125.470 | ml/mol | McGowan Calculated Property |
| Pc | 3276.53 | kPa | Joback Calculated Property |
| Inp | [1040.00; 1084.00] |
|
|
| Inp | 1071.00 | NIST | |
| Inp | Outlier 1040.00 | NIST | |
| Inp | 1084.00 | NIST | |
| Inp | 1084.00 | NIST | |
| Inp | 1081.00 | NIST | |
| Inp | 1071.00 | NIST | |
| I | [1647.00; 1673.00] |
|
|
| I | 1647.00 | NIST | |
| I | 1667.00 | NIST | |
| I | 1660.00 | NIST | |
| I | 1661.00 | NIST | |
| I | 1673.00 | NIST | |
| I | 1647.00 | NIST | |
| Tboil | 501.50 | K | Joback Calculated Property |
| Tc | 708.69 | K | Joback Calculated Property |
| Tfus | 278.03 | K | Joback Calculated Property |
| Vc | 0.474 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [231.57; 274.29] | J/mol×K | [501.50; 708.69] |
|
| Cp,gas | 231.57 | J/mol×K | 501.50 | Joback Calculated Property |
| Cp,gas | 239.69 | J/mol×K | 536.03 | Joback Calculated Property |
| Cp,gas | 247.40 | J/mol×K | 570.56 | Joback Calculated Property |
| Cp,gas | 254.72 | J/mol×K | 605.10 | Joback Calculated Property |
| Cp,gas | 261.64 | J/mol×K | 639.63 | Joback Calculated Property |
| Cp,gas | 268.16 | J/mol×K | 674.16 | Joback Calculated Property |
| Cp,gas | 274.29 | J/mol×K | 708.69 | Joback Calculated Property |
| η | [0.0002943; 0.0047788] | Pa×s | [278.03; 501.50] |
|
| η | 0.0047788 | Pa×s | 278.03 | Joback Calculated Property |
| η | 0.0022824 | Pa×s | 315.27 | Joback Calculated Property |
| η | 0.0012744 | Pa×s | 352.52 | Joback Calculated Property |
| η | 0.0007953 | Pa×s | 389.76 | Joback Calculated Property |
| η | 0.0005389 | Pa×s | 427.01 | Joback Calculated Property |
| η | 0.0003887 | Pa×s | 464.25 | Joback Calculated Property |
| η | 0.0002943 | Pa×s | 501.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-chloropropyl dichloroacetate.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.