- InChI
- InChI=1S/C13H17Cl3O2/c1-5-6-10(4)11(8-7-9(2)3)18-12(17)13(14,15)16/h10-11H,2,5-6H2,1,3-4H3
- InChI Key
- QUQXVSNIXBWVAX-UHFFFAOYSA-N
- Formula
- C13H17Cl3O2
- SMILES
-
C=C(C)C#CC(OC(=O)C(Cl)(Cl)Cl)C
(C)CCC - Molecular Weight1
- 311.63
- 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 | 0.4201 | Relay (... Calculated Property | |
| ΔfG° | 68.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -276.47 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 30.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.45 | kJ/mol | Relay (... Calculated Property |
| IE | 9.35 | eV | Relay (... Calculated Property |
| log10WS | -5.10 | Relay (... Calculated Property | |
| logPoct/wat | 4.284 | Crippen Calculated Property | |
| McVol | 225.290 | ml/mol | McGowan Calculated Property |
| Pc | 1908.57 | kPa | Joback Calculated Property |
| Inp | [1621.00; 1621.00] |
|
|
| Inp | 1621.00 | NIST | |
| Inp | 1621.00 | NIST | |
| Tboil | 529.18 | K | Relay (... Calculated Property |
| Tc | 739.67 | K | Relay (... Calculated Property |
| Tfus | 292.14 | K | Relay (... Calculated Property |
| Vc | 0.768 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [544.12; 614.37] | J/mol×K | [686.87; 910.36] |
|
| Cp,gas | 544.12 | J/mol×K | 686.87 | Joback Calculated Property |
| Cp,gas | 558.03 | J/mol×K | 724.12 | Joback Calculated Property |
| Cp,gas | 570.99 | J/mol×K | 761.37 | Joback Calculated Property |
| Cp,gas | 583.05 | J/mol×K | 798.61 | Joback Calculated Property |
| Cp,gas | 594.27 | J/mol×K | 835.86 | Joback Calculated Property |
| Cp,gas | 604.69 | J/mol×K | 873.11 | Joback Calculated Property |
| Cp,gas | 614.37 | J/mol×K | 910.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Trichloroacetic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester.
Sources
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