- InChI
- InChI=1S/C8H10Cl2O2/c1-3-5-6(4-2)12-8(11)7(9)10/h6-7H,4H2,1-2H3
- InChI Key
- HNJCYURZVMLJAK-UHFFFAOYSA-N
- Formula
- C8H10Cl2O2
- SMILES
- CC#CC(CC)OC(=O)C(Cl)Cl
- Molecular Weight1
- 209.07
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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.
- 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° | -43.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -222.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.70 | kJ/mol | Joback Calculated Property |
| log10WS | -2.85 | Crippen Calculated Property | |
| logPoct/wat | 2.135 | Crippen Calculated Property | |
| McVol | 146.900 | ml/mol | McGowan Calculated Property |
| Pc | 2960.12 | kPa | Joback Calculated Property |
| Inp | [1244.00; 1244.00] |
|
|
| Inp | 1244.00 | NIST | |
| Inp | 1244.00 | NIST | |
| Tboil | 541.71 | K | Joback Calculated Property |
| Tc | 760.18 | K | Joback Calculated Property |
| Tfus | 388.02 | K | Joback Calculated Property |
| Vc | 0.555 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [298.53; 355.49] | J/mol×K | [541.71; 760.18] |
|
| Cp,gas | 298.53 | J/mol×K | 541.71 | Joback Calculated Property |
| Cp,gas | 309.39 | J/mol×K | 578.12 | Joback Calculated Property |
| Cp,gas | 319.70 | J/mol×K | 614.53 | Joback Calculated Property |
| Cp,gas | 329.45 | J/mol×K | 650.95 | Joback Calculated Property |
| Cp,gas | 338.67 | J/mol×K | 687.36 | Joback Calculated Property |
| Cp,gas | 347.34 | J/mol×K | 723.77 | Joback Calculated Property |
| Cp,gas | 355.49 | J/mol×K | 760.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dichloroacetic acid, hex-4-yn-3-yl ester.
Sources
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