- InChI
- InChI=1S/C12H17F3O2/c1-8(2)5-6-10(9(3)4)7-17-11(16)12(13,14)15/h5,10H,3,6-7H2,1-2,4H3
- InChI Key
- NMBAKMPLONJXSQ-UHFFFAOYSA-N
- Formula
- C12H17F3O2
- SMILES
-
C=C(C)C(CC=C(C)C)COC(=O)C(F)(F
)F - Molecular Weight1
- 250.26
- CAS
- 28673-24-7
- Other Names
-
- (.+/-.)-Lavandulol, trifluoroacetate
- 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° | -616.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -915.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.77 | kJ/mol | Joback Calculated Property |
| log10WS | -3.84 | Crippen Calculated Property | |
| logPoct/wat | 3.640 | Crippen Calculated Property | |
| McVol | 184.090 | ml/mol | McGowan Calculated Property |
| Pc | 1845.16 | kPa | Joback Calculated Property |
| Inp | [1251.40; 1251.40] |
|
|
| Inp | 1251.40 | NIST | |
| Inp | 1251.40 | NIST | |
| Tboil | 544.99 | K | Joback Calculated Property |
| Tc | 719.49 | K | Joback Calculated Property |
| Tfus | 251.59 | K | Joback Calculated Property |
| Vc | 0.732 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [453.42; 529.28] | J/mol×K | [544.99; 719.49] |
|
| Cp,gas | 453.42 | J/mol×K | 544.99 | Joback Calculated Property |
| Cp,gas | 467.85 | J/mol×K | 574.07 | Joback Calculated Property |
| Cp,gas | 481.52 | J/mol×K | 603.16 | Joback Calculated Property |
| Cp,gas | 494.47 | J/mol×K | 632.24 | Joback Calculated Property |
| Cp,gas | 506.72 | J/mol×K | 661.32 | Joback Calculated Property |
| Cp,gas | 518.31 | J/mol×K | 690.41 | Joback Calculated Property |
| Cp,gas | 529.28 | J/mol×K | 719.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Trifluoroacetyl-lavandulol.
Sources
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