- InChI
- InChI=1S/C8H11F3O2/c9-8(10,11)7(12)13-6-4-2-1-3-5-6/h6H,1-5H2
- InChI Key
- MJNDVDVTLSBDLB-UHFFFAOYSA-N
- Formula
- C8H11F3O2
- SMILES
- O=C(OC1CCCCC1)C(F)(F)F
- Molecular Weight1
- 196.17
- CAS
- 1549-45-7
- Other Names
-
- Trifluoroacetic acid, cyclohexyl ester
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- 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° | -774.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -996.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.24 | kJ/mol | Joback Calculated Property |
| log10WS | -2.70 | Crippen Calculated Property | |
| logPoct/wat | 2.425 | Crippen Calculated Property | |
| McVol | 125.470 | ml/mol | McGowan Calculated Property |
| Pc | 2918.68 | kPa | Joback Calculated Property |
| Tboil | 472.86 | K | Joback Calculated Property |
| Tc | 665.20 | K | Joback Calculated Property |
| Tfus | 263.65 | K | Joback Calculated Property |
| Vc | 0.483 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [290.69; 369.12] | J/mol×K | [472.86; 665.20] | 
|
| Cp,gas | 290.69 | J/mol×K | 472.86 | Joback Calculated Property |
| Cp,gas | 305.76 | J/mol×K | 504.92 | Joback Calculated Property |
| Cp,gas | 320.00 | J/mol×K | 536.97 | Joback Calculated Property |
| Cp,gas | 333.43 | J/mol×K | 569.03 | Joback Calculated Property |
| Cp,gas | 346.08 | J/mol×K | 601.09 | Joback Calculated Property |
| Cp,gas | 357.97 | J/mol×K | 633.14 | Joback Calculated Property |
| Cp,gas | 369.12 | J/mol×K | 665.20 | Joback Calculated Property |
| ΔvapH | 43.00 | kJ/mol | 382.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [311.34; 446.96] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.57944e+01 | |||
| Coefficient B | -4.38827e+03 | |||
| Coefficient C | -2.83500e+01 | |||
| Temperature range, min. | 311.34 | |||
| Temperature range, max. | 446.96 | |||
| Pvap | 1.33 | kPa | 311.34 | Calculated Property |
| Pvap | 2.92 | kPa | 326.41 | Calculated Property |
| Pvap | 5.93 | kPa | 341.48 | Calculated Property |
| Pvap | 11.29 | kPa | 356.55 | Calculated Property |
| Pvap | 20.30 | kPa | 371.62 | Calculated Property |
| Pvap | 34.75 | kPa | 386.68 | Calculated Property |
| Pvap | 56.96 | kPa | 401.75 | Calculated Property |
| Pvap | 89.85 | kPa | 416.82 | Calculated Property |
| Pvap | 137.00 | kPa | 431.89 | Calculated Property |
| Pvap | 202.64 | kPa | 446.96 | Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, trifluoro-, cyclohexyl ester.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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