- InChI
- InChI=1S/C16H20ClF3O2/c17-11-7-3-1-2-4-8-12-22-15(21)13-9-5-6-10-14(13)16(18,19)20/h5-6,9-10H,1-4,7-8,11-12H2
- InChI Key
- SXGWJQIWQNQMFD-UHFFFAOYSA-N
- Formula
- C16H20ClF3O2
- SMILES
-
O=C(OCCCCCCCCCl)c1ccccc1C(F)(F
)F - Molecular Weight1
- 336.78
- 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 | 0.8308 | Relay (... Calculated Property | |
| ΔfG° | -640.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1090.14 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 39.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.85 | kJ/mol | Relay (... Calculated Property |
| IE | 9.70 | eV | Relay (... Calculated Property |
| log10WS | -5.86 | Relay (... Calculated Property | |
| logPoct/wat | 5.442 | Crippen Calculated Property | |
| McVol | 237.530 | ml/mol | McGowan Calculated Property |
| Pc | 1543.92 | kPa | Joback Calculated Property |
| Inp | [2107.00; 2107.00] |
|
|
| Inp | 2107.00 | NIST | |
| Inp | 2107.00 | NIST | |
| Tboil | 588.22 | K | Relay (... Calculated Property |
| Tc | 795.44 | K | Relay (... Calculated Property |
| Tfus | 278.88 | K | Relay (... Calculated Property |
| Vc | 0.875 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [655.73; 730.66] | J/mol×K | [705.44; 893.29] |
|
| Cp,gas | 655.73 | J/mol×K | 705.44 | Joback Calculated Property |
| Cp,gas | 670.30 | J/mol×K | 736.75 | Joback Calculated Property |
| Cp,gas | 683.98 | J/mol×K | 768.06 | Joback Calculated Property |
| Cp,gas | 696.81 | J/mol×K | 799.36 | Joback Calculated Property |
| Cp,gas | 708.85 | J/mol×K | 830.67 | Joback Calculated Property |
| Cp,gas | 720.12 | J/mol×K | 861.98 | Joback Calculated Property |
| Cp,gas | 730.66 | J/mol×K | 893.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Trifluoromethylbenzoic acid, 8-chlorooctyl ester.
Sources
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