- InChI
- InChI=1S/C5H6Cl2O2/c1-2-3-9-5(8)4(6)7/h2,4H,1,3H2
- InChI Key
- UJUPTENXDPFFDP-UHFFFAOYSA-N
- Formula
- C5H6Cl2O2
- SMILES
- C=CCOC(=O)C(Cl)Cl
- Molecular Weight1
- 169.01
- CAS
- 30895-77-3
- Other Names
-
- Allyl dichloroacetate
- 2-Propen-1-ol, dichloroacetate
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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 |
|---|---|---|---|
| ΔcH°liquid | [-2925.00; -2479.00] | kJ/mol |
|
| ΔcH°liquid | -2925.00 ± 3.00 | kJ/mol | NIST |
| ΔcH°liquid | -2479.00 | kJ/mol | NIST |
| ΔfG° | -181.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -302.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.59 | kJ/mol | Joback Calculated Property |
| log10WS | -1.54 | Crippen Calculated Property | |
| logPoct/wat | 1.519 | Crippen Calculated Property | |
| McVol | 108.930 | ml/mol | McGowan Calculated Property |
| Pc | 3560.02 | kPa | Joback Calculated Property |
| Inp | [946.00; 946.00] |
|
|
| Inp | 946.00 | NIST | |
| Inp | 946.00 | NIST | |
| Inp | 946.00 | NIST | |
| I | 1504.00 | NIST | |
| Tboil | 461.19 | K | Joback Calculated Property |
| Tc | 662.38 | K | Joback Calculated Property |
| Tfus | 261.35 | K | Joback Calculated Property |
| Vc | 0.412 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [193.30; 233.00] | J/mol×K | [461.19; 662.38] |
|
| Cp,gas | 193.30 | J/mol×K | 461.19 | Joback Calculated Property |
| Cp,gas | 200.79 | J/mol×K | 494.72 | Joback Calculated Property |
| Cp,gas | 207.92 | J/mol×K | 528.25 | Joback Calculated Property |
| Cp,gas | 214.70 | J/mol×K | 561.79 | Joback Calculated Property |
| Cp,gas | 221.14 | J/mol×K | 595.32 | Joback Calculated Property |
| Cp,gas | 227.24 | J/mol×K | 628.85 | Joback Calculated Property |
| Cp,gas | 233.00 | J/mol×K | 662.38 | Joback Calculated Property |
| η | [0.0003182; 0.0036093] | Pa×s | [261.35; 461.19] |
|
| η | 0.0036093 | Pa×s | 261.35 | Joback Calculated Property |
| η | 0.0019155 | Pa×s | 294.66 | Joback Calculated Property |
| η | 0.0011562 | Pa×s | 327.96 | Joback Calculated Property |
| η | 0.0007659 | Pa×s | 361.27 | Joback Calculated Property |
| η | 0.0005439 | Pa×s | 394.58 | Joback Calculated Property |
| η | 0.0004074 | Pa×s | 427.88 | Joback Calculated Property |
| η | 0.0003182 | Pa×s | 461.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dichloroacetic acid, allyl ester.
Sources
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