- InChI
- InChI=1S/C8H9Cl3O2/c1-3-5-6(4-2)13-7(12)8(9,10)11/h6H,4H2,1-2H3
- InChI Key
- ALHKHMGMXWSIDK-UHFFFAOYSA-N
- Formula
- C8H9Cl3O2
- SMILES
- CC#CC(CC)OC(=O)C(Cl)(Cl)Cl
- Molecular Weight1
- 243.51
- 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° | -50.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -242.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.18 | kJ/mol | Joback Calculated Property |
| log10WS | -3.50 | Crippen Calculated Property | |
| logPoct/wat | 2.702 | Crippen Calculated Property | |
| McVol | 159.140 | ml/mol | McGowan Calculated Property |
| Pc | 2878.12 | kPa | Joback Calculated Property |
| Inp | 1317.00 | NIST | |
| Tboil | 576.35 | K | Joback Calculated Property |
| Tc | 808.21 | K | Joback Calculated Property |
| Tfus | 435.36 | K | Joback Calculated Property |
| Vc | 0.600 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [324.80; 377.43] | J/mol×K | [576.35; 808.21] | 
|
| Cp,gas | 324.80 | J/mol×K | 576.35 | Joback Calculated Property |
| Cp,gas | 335.29 | J/mol×K | 614.99 | Joback Calculated Property |
| Cp,gas | 345.05 | J/mol×K | 653.64 | Joback Calculated Property |
| Cp,gas | 354.11 | J/mol×K | 692.28 | Joback Calculated Property |
| Cp,gas | 362.51 | J/mol×K | 730.92 | Joback Calculated Property |
| Cp,gas | 370.27 | J/mol×K | 769.56 | Joback Calculated Property |
| Cp,gas | 377.43 | J/mol×K | 808.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Trichloroacetic acid, hex-4-yn-3-yl ester.
Sources
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