- InChI
- InChI=1S/C7H6Cl2O2/c1-2-3-4-5-11-7(10)6(8)9/h1,3-4,6H,5H2
- InChI Key
- NNFFABBXUJXUSY-UHFFFAOYSA-N
- Formula
- C7H6Cl2O2
- SMILES
- C#CC=CCOC(=O)C(Cl)Cl
- Molecular Weight1
- 193.03
- 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° | 51.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -60.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.53 | kJ/mol | Joback Calculated Property |
| log10WS | -2.18 | Crippen Calculated Property | |
| logPoct/wat | 1.523 | Crippen Calculated Property | |
| McVol | 128.510 | ml/mol | McGowan Calculated Property |
| Pc | 3419.86 | kPa | Joback Calculated Property |
| Inp | 1184.00 | NIST | |
| Tboil | 504.55 | K | Joback Calculated Property |
| Tc | 720.18 | K | Joback Calculated Property |
| Tfus | 327.54 | K | Joback Calculated Property |
| Vc | 0.485 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [239.46; 282.01] | J/mol×K | [504.55; 720.18] | 
|
| Cp,gas | 239.46 | J/mol×K | 504.55 | Joback Calculated Property |
| Cp,gas | 247.77 | J/mol×K | 540.49 | Joback Calculated Property |
| Cp,gas | 255.57 | J/mol×K | 576.43 | Joback Calculated Property |
| Cp,gas | 262.86 | J/mol×K | 612.36 | Joback Calculated Property |
| Cp,gas | 269.68 | J/mol×K | 648.30 | Joback Calculated Property |
| Cp,gas | 276.06 | J/mol×K | 684.24 | Joback Calculated Property |
| Cp,gas | 282.01 | J/mol×K | 720.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dichloroacetic acid, pent-2-en-4-ynyl ester.
Sources
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