- InChI
- InChI=1S/C12H19F3O2/c1-7(2)9-5-4-8(3)6-10(9)17-11(16)12(13,14)15/h7-10H,4-6H2,1-3H3
- InChI Key
- ATXCXBAHNZQECW-UHFFFAOYSA-N
- Formula
- C12H19F3O2
- SMILES
-
CC1CCC(C(C)C)C(OC(=O)C(F)(F)F)
C1 - Molecular Weight1
- 252.27
- CAS
- 28587-50-0
- Other Names
-
- Trifluoroacetyl-menthol
- Menthol, trifluoroacetate
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 23.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.88 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.553 | Crippen Calculated Property | |
| McVol | 181.830 | ml/mol | McGowan Calculated Property |
| Inp | [1132.00; 1132.00] |
|
|
| Inp | 1132.00 | NIST | |
| Inp | 1132.00 | NIST | |
| Tboil | 473.01 | K | Relay (1.0) Calculated Property |
| Tc | 625.51 | K | Relay (1.0) Calculated Property |
| Tfus | 227.80 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [265.62; 668.14] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -4.42200e+01 | |||
| Coefficient B | 1.32526e+00 | |||
| Coefficient C | -7.28800e-04 | |||
| Coefficient D | 1.15900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 265.62 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 338.54 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 403.56 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 461.05 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 511.36 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 554.86 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 591.92 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 622.91 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 648.20 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 668.14 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to O-Trifluoroacetyl-menthol.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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