- InChI
- InChI=1S/C12H15Cl3O2/c1-8(2)5-6-10(7-9(3)4)17-11(16)12(13,14)15/h9-10H,1,7H2,2-4H3
- InChI Key
- XXRBSODQKFUODU-UHFFFAOYSA-N
- Formula
- C12H15Cl3O2
- SMILES
-
C=C(C)C#CC(CC(C)C)OC(=O)C(Cl)(
Cl)Cl - Molecular Weight1
- 297.61
- 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° | 60.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -214.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.11 | kJ/mol | Joback Calculated Property |
| log10WS | -4.79 | Crippen Calculated Property | |
| logPoct/wat | 3.894 | Crippen Calculated Property | |
| McVol | 211.200 | ml/mol | McGowan Calculated Property |
| Pc | 2079.33 | kPa | Joback Calculated Property |
| Inp | 1545.00 | NIST | |
| Tboil | 663.99 | K | Joback Calculated Property |
| Tc | 891.60 | K | Joback Calculated Property |
| Tfus | 449.72 | K | Joback Calculated Property |
| Vc | 0.799 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [493.40; 560.60] | J/mol×K | [663.99; 891.60] | 
|
| Cp,gas | 493.40 | J/mol×K | 663.99 | Joback Calculated Property |
| Cp,gas | 506.77 | J/mol×K | 701.93 | Joback Calculated Property |
| Cp,gas | 519.21 | J/mol×K | 739.86 | Joback Calculated Property |
| Cp,gas | 530.75 | J/mol×K | 777.80 | Joback Calculated Property |
| Cp,gas | 541.46 | J/mol×K | 815.73 | Joback Calculated Property |
| Cp,gas | 551.40 | J/mol×K | 853.67 | Joback Calculated Property |
| Cp,gas | 560.60 | J/mol×K | 891.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Trichloroacetic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester.
Sources
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