- InChI
- InChI=1S/C7H5Cl3O2/c1-2-3-4-5-12-6(11)7(8,9)10/h1,3-4H,5H2
- InChI Key
- GRCGKUPJKHXUAF-UHFFFAOYSA-N
- Formula
- C7H5Cl3O2
- SMILES
- C#CC=CCOC(=O)C(Cl)(Cl)Cl
- Molecular Weight1
- 227.47
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.2805 | Relay (1.0) Calculated Property | |
| ΔfG° | 44.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -143.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.089 | Crippen Calculated Property | |
| McVol | 140.750 | ml/mol | McGowan Calculated Property |
| Pc | 3318.18 | kPa | Joback Calculated Property |
| Inp | [1286.00; 1286.00] |
|
|
| Inp | 1286.00 | NIST | |
| Inp | 1286.00 | NIST | |
| Tboil | 483.31 | K | Relay (1.0) Calculated Property |
| Tc | 701.70 | K | Relay (1.0) Calculated Property |
| Tfus | 339.25 | K | Relay (1.0) Calculated Property |
| Vc | 0.456 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [263.71; 302.25] | J/mol×K | [539.19; 769.02] |
|
| Cp,gas | 263.71 | J/mol×K | 539.19 | Joback Calculated Property |
| Cp,gas | 271.70 | J/mol×K | 577.50 | Joback Calculated Property |
| Cp,gas | 278.99 | J/mol×K | 615.80 | Joback Calculated Property |
| Cp,gas | 285.63 | J/mol×K | 654.11 | Joback Calculated Property |
| Cp,gas | 291.68 | J/mol×K | 692.41 | Joback Calculated Property |
| Cp,gas | 297.21 | J/mol×K | 730.72 | Joback Calculated Property |
| Cp,gas | 302.25 | J/mol×K | 769.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Trichloroacetic acid, pent-2-en-4-ynyl ester.
Sources
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