- InChI
- InChI=1S/C5H8Cl2O2/c1-4(7)3-9-5(8)2-6/h4H,2-3H2,1H3
- InChI Key
- WCMJTDWCQAQDJV-UHFFFAOYSA-N
- Formula
- C5H8Cl2O2
- SMILES
- CC(Cl)COC(=O)CCl
- Molecular Weight1
- 171.02
- Other Names
-
- 1-Propanol, 2-chloro, chloroacetate
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -513.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.58 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.396 | Crippen Calculated Property | |
| McVol | 113.230 | ml/mol | McGowan Calculated Property |
| Pc | 3231.98 | kPa | Joback Calculated Property |
| Inp | [1044.00; 1069.00] |
|
|
| Inp | 1066.00 | NIST | |
| Inp | 1044.00 | NIST | |
| Inp | 1053.00 | NIST | |
| Inp | 1069.00 | NIST | |
| Inp | 1066.00 | NIST | |
| I | [1714.00; 1759.00] |
|
|
| I | 1716.00 | NIST | |
| I | 1714.00 | NIST | |
| I | 1749.00 | NIST | |
| I | 1752.00 | NIST | |
| I | 1755.00 | NIST | |
| I | 1759.00 | NIST | |
| I | 1716.00 | NIST | |
| I | 1759.00 | NIST | |
| Tboil | 469.42 | K | Relay (1.0) Calculated Property |
| Tc | 667.55 | K | Relay (1.0) Calculated Property |
| Tfus | 255.31 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [207.30; 253.08] | J/mol×K | [446.64; 640.15] |
|
| Cp,gas | 207.30 | J/mol×K | 446.64 | Joback Calculated Property |
| Cp,gas | 215.89 | J/mol×K | 478.89 | Joback Calculated Property |
| Cp,gas | 224.09 | J/mol×K | 511.14 | Joback Calculated Property |
| Cp,gas | 231.91 | J/mol×K | 543.39 | Joback Calculated Property |
| Cp,gas | 239.34 | J/mol×K | 575.65 | Joback Calculated Property |
| Cp,gas | 246.40 | J/mol×K | 607.90 | Joback Calculated Property |
| Cp,gas | 253.08 | J/mol×K | 640.15 | Joback Calculated Property |
| η | [0.0003003; 0.0071995] | Pa×s | [233.28; 446.64] |
|
| η | 0.0071995 | Pa×s | 233.28 | Joback Calculated Property |
| η | 0.0029872 | Pa×s | 268.84 | Joback Calculated Property |
| η | 0.0015223 | Pa×s | 304.40 | Joback Calculated Property |
| η | 0.0008932 | Pa×s | 339.96 | Joback Calculated Property |
| η | 0.0005798 | Pa×s | 375.52 | Joback Calculated Property |
| η | 0.0004056 | Pa×s | 411.08 | Joback Calculated Property |
| η | 0.0003003 | Pa×s | 446.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-chloropropyl chloroacetate.
Sources
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