- InChI
- InChI=1S/C7H9Cl3O2/c1-5(2)3-6(11)12-4-7(8,9)10/h3H,4H2,1-2H3
- InChI Key
- FWLIDIYRZQYQEO-UHFFFAOYSA-N
- Formula
- C7H9Cl3O2
- SMILES
- CC(C)=CC(=O)OCC(Cl)(Cl)Cl
- Molecular Weight1
- 231.50
- 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° | -187.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -381.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.23 | kJ/mol | Joback Calculated Property |
| log10WS | -3.03 | Crippen Calculated Property | |
| logPoct/wat | 2.866 | Crippen Calculated Property | |
| McVol | 149.350 | ml/mol | McGowan Calculated Property |
| Pc | 2832.35 | kPa | Joback Calculated Property |
| Inp | 1305.00 | NIST | |
| Tboil | 548.95 | K | Joback Calculated Property |
| Tc | 766.89 | K | Joback Calculated Property |
| Tfus | 313.95 | K | Joback Calculated Property |
| Vc | 0.569 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [299.20; 349.25] | J/mol×K | [548.95; 766.89] | 
|
| Cp,gas | 299.20 | J/mol×K | 548.95 | Joback Calculated Property |
| Cp,gas | 309.18 | J/mol×K | 585.27 | Joback Calculated Property |
| Cp,gas | 318.45 | J/mol×K | 621.60 | Joback Calculated Property |
| Cp,gas | 327.05 | J/mol×K | 657.92 | Joback Calculated Property |
| Cp,gas | 335.02 | J/mol×K | 694.25 | Joback Calculated Property |
| Cp,gas | 342.40 | J/mol×K | 730.57 | Joback Calculated Property |
| Cp,gas | 349.25 | J/mol×K | 766.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methylbut-2-enoic acid, 2,2,2-trichloroethyl ester.
Sources
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