- InChI
- InChI=1S/C12H17F3O3/c1-5-11(4)7-6-8(17-11)10(2,3)18-9(16)12(13,14)15/h5,8H,1,6-7H2,2-4H3
- InChI Key
- XRCYHUMSIDUMTJ-UHFFFAOYSA-N
- Formula
- C12H17F3O3
- SMILES
-
C=CC1(C)CCC(C(C)(C)OC(=O)C(F)(
F)F)O1 - Molecular Weight1
- 266.26
- 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° | -737.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1092.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.06 | kJ/mol | Joback Calculated Property |
| log10WS | -3.54 | Crippen Calculated Property | |
| logPoct/wat | 2.994 | Crippen Calculated Property | |
| McVol | 183.400 | ml/mol | McGowan Calculated Property |
| Pc | 2073.65 | kPa | Joback Calculated Property |
| Inp | [1128.00; 1128.00] |
|
|
| Inp | 1128.00 | NIST | |
| Inp | 1128.00 | NIST | |
| Tboil | 576.08 | K | Joback Calculated Property |
| Tc | 773.45 | K | Joback Calculated Property |
| Tfus | 359.14 | K | Joback Calculated Property |
| Vc | 0.704 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [495.98; 581.52] | J/mol×K | [576.08; 773.45] |
|
| Cp,gas | 495.98 | J/mol×K | 576.08 | Joback Calculated Property |
| Cp,gas | 512.60 | J/mol×K | 608.97 | Joback Calculated Property |
| Cp,gas | 528.11 | J/mol×K | 641.87 | Joback Calculated Property |
| Cp,gas | 542.64 | J/mol×K | 674.76 | Joback Calculated Property |
| Cp,gas | 556.31 | J/mol×K | 707.66 | Joback Calculated Property |
| Cp,gas | 569.23 | J/mol×K | 740.55 | Joback Calculated Property |
| Cp,gas | 581.52 | J/mol×K | 773.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Linalol oxide, trifluoroacetate.
Sources
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