- InChI
- InChI=1S/C15H23Cl3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-14(19)15(16,17)18/h2-10,13H2,1H3
- InChI Key
- IKJIABATPGGYLS-UHFFFAOYSA-N
- Formula
- C15H23Cl3O2
- SMILES
-
CCCCCCCCCCC#CCOC(=O)C(Cl)(Cl)C
l - Molecular Weight1
- 341.70
- 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 | 0.6681 | Relay (1.0) Calculated Property | |
| ΔfG° | 11.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -419.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.434 | Crippen Calculated Property | |
| McVol | 257.770 | ml/mol | McGowan Calculated Property |
| Pc | 1545.13 | kPa | Joback Calculated Property |
| Inp | 2084.00 | NIST | |
| Tboil | 568.99 | K | Relay (1.0) Calculated Property |
| Tc | 790.13 | K | Relay (1.0) Calculated Property |
| Tfus | 286.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.932 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [673.25; 748.78] | J/mol×K | [736.95; 940.54] | 
|
| Cp,gas | 673.25 | J/mol×K | 736.95 | Joback Calculated Property |
| Cp,gas | 687.91 | J/mol×K | 770.88 | Joback Calculated Property |
| Cp,gas | 701.68 | J/mol×K | 804.81 | Joback Calculated Property |
| Cp,gas | 714.61 | J/mol×K | 838.75 | Joback Calculated Property |
| Cp,gas | 726.75 | J/mol×K | 872.68 | Joback Calculated Property |
| Cp,gas | 738.12 | J/mol×K | 906.61 | Joback Calculated Property |
| Cp,gas | 748.78 | J/mol×K | 940.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Trichloroacetic acid, tridec-2-ynyl ester.
Sources
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