- InChI
- InChI=1S/C5H8Cl2O2/c6-2-1-3-9-5(8)4-7/h1-4H2
- InChI Key
- CWZVJVDIQWKNJX-UHFFFAOYSA-N
- Formula
- C5H8Cl2O2
- SMILES
- O=C(CCl)OCCCCl
- Molecular Weight1
- 171.02
- CAS
- 62116-55-6
- Other Names
-
- 1-Propanol, 3-chloro, chloroacetate
- 3-chloropropyl chloroacetate
- 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° | -266.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -422.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.65 | kJ/mol | Joback Calculated Property |
| log10WS | -1.08 | Crippen Calculated Property | |
| logPoct/wat | 1.397 | Crippen Calculated Property | |
| McVol | 113.230 | ml/mol | McGowan Calculated Property |
| Pc | 3356.75 | kPa | Joback Calculated Property |
| Inp | [1118.00; 1138.00] |
|
|
| Inp | 1138.00 | NIST | |
| Inp | 1118.00 | NIST | |
| Inp | 1130.00 | NIST | |
| Inp | 1128.00 | NIST | |
| Inp | 1134.00 | NIST | |
| I | [1848.00; 1909.00] |
|
|
| I | 1848.00 | NIST | |
| I | 1851.00 | NIST | |
| I | 1890.00 | NIST | |
| I | 1896.00 | NIST | |
| I | 1902.00 | NIST | |
| I | 1909.00 | NIST | |
| I | 1848.00 | NIST | |
| I | 1909.00 | NIST | |
| Tboil | 464.95 | K | Joback Calculated Property |
| Tc | 657.47 | K | Joback Calculated Property |
| Tfus | 278.11 | K | Joback Calculated Property |
| Vc | 0.438 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [209.33; 252.60] | J/mol×K | [464.95; 657.47] |
|
| Cp,gas | 209.33 | J/mol×K | 464.95 | Joback Calculated Property |
| Cp,gas | 217.34 | J/mol×K | 497.04 | Joback Calculated Property |
| Cp,gas | 225.03 | J/mol×K | 529.12 | Joback Calculated Property |
| Cp,gas | 232.40 | J/mol×K | 561.21 | Joback Calculated Property |
| Cp,gas | 239.45 | J/mol×K | 593.30 | Joback Calculated Property |
| Cp,gas | 246.19 | J/mol×K | 625.38 | Joback Calculated Property |
| Cp,gas | 252.60 | J/mol×K | 657.47 | Joback Calculated Property |
| η | [0.0003318; 0.0028660] | Pa×s | [278.11; 464.95] |
|
| η | 0.0028660 | Pa×s | 278.11 | Joback Calculated Property |
| η | 0.0016697 | Pa×s | 309.25 | Joback Calculated Property |
| η | 0.0010738 | Pa×s | 340.39 | Joback Calculated Property |
| η | 0.0007436 | Pa×s | 371.53 | Joback Calculated Property |
| η | 0.0005451 | Pa×s | 402.67 | Joback Calculated Property |
| η | 0.0004178 | Pa×s | 433.81 | Joback Calculated Property |
| η | 0.0003318 | Pa×s | 464.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Chloroacetic acid, 3-chloropropyl ester.
Sources
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