- InChI
- InChI=1S/C11H15Cl3O2/c1-4-5-6-9(7-8(2)3)16-10(15)11(12,13)14/h8-9H,4,7H2,1-3H3
- InChI Key
- BFHVFJFRDWWLLF-UHFFFAOYSA-N
- Formula
- C11H15Cl3O2
- SMILES
-
CCC#CC(CC(C)C)OC(=O)C(Cl)(Cl)C
l - Molecular Weight1
- 285.60
- 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° | -27.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -309.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.47 | kJ/mol | Joback Calculated Property |
| log10WS | -4.52 | Crippen Calculated Property | |
| logPoct/wat | 3.728 | Crippen Calculated Property | |
| McVol | 201.410 | ml/mol | McGowan Calculated Property |
| Pc | 2175.46 | kPa | Joback Calculated Property |
| Inp | 1500.00 | NIST | |
| Tboil | 644.55 | K | Joback Calculated Property |
| Tc | 868.09 | K | Joback Calculated Property |
| Tfus | 454.17 | K | Joback Calculated Property |
| Vc | 0.761 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [466.22; 533.19] | J/mol×K | [644.55; 868.09] | 
|
| Cp,gas | 466.22 | J/mol×K | 644.55 | Joback Calculated Property |
| Cp,gas | 479.47 | J/mol×K | 681.81 | Joback Calculated Property |
| Cp,gas | 491.83 | J/mol×K | 719.06 | Joback Calculated Property |
| Cp,gas | 503.34 | J/mol×K | 756.32 | Joback Calculated Property |
| Cp,gas | 514.04 | J/mol×K | 793.57 | Joback Calculated Property |
| Cp,gas | 523.98 | J/mol×K | 830.83 | Joback Calculated Property |
| Cp,gas | 533.19 | J/mol×K | 868.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Trichloroacetic acid, 2-methyloct-5-yn-4-yl ester.
Sources
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