- InChI
- InChI=1S/C16H20ClF3O2/c17-10-5-3-1-2-4-6-11-22-15(21)13-8-7-9-14(12-13)16(18,19)20/h7-9,12H,1-6,10-11H2
- InChI Key
- MRTHRZOLWFXNPF-UHFFFAOYSA-N
- Formula
- C16H20ClF3O2
- SMILES
-
O=C(OCCCCCCCCCl)c1cccc(C(F)(F)
F)c1 - Molecular Weight1
- 336.78
- 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° | -640.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1006.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.94 | kJ/mol | Joback Calculated Property |
| log10WS | -5.90 | Crippen 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 | [2068.00; 2068.00] |
|
|
| Inp | 2068.00 | NIST | |
| Inp | 2068.00 | NIST | |
| Tboil | 705.44 | K | Joback Calculated Property |
| Tc | 893.29 | K | Joback Calculated Property |
| Tfus | 415.29 | K | Joback Calculated Property |
| Vc | 0.940 | m3/kmol | Joback 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 3-Trifluoromethylbenzoic acid, 8-chlorooctyl ester.
Sources
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