- InChI
- InChI=1S/C12H19F3O2/c1-9(2)5-4-6-10(3)7-8-17-11(16)12(13,14)15/h5,10H,4,6-8H2,1-3H3
- InChI Key
- QIMCGLXWBIDWOY-UHFFFAOYSA-N
- Formula
- C12H19F3O2
- SMILES
- CC(C)=CCCC(C)CCOC(=O)C(F)(F)F
- Molecular Weight1
- 252.27
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5138 | Relay (... Calculated Property | |
| ΔfG° | -696.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1123.48 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 26.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.69 | kJ/mol | Relay (... Calculated Property |
| IE | 9.14 | eV | Relay (... Calculated Property |
| log10WS | -3.52 | Relay (... Calculated Property | |
| logPoct/wat | 3.865 | Crippen Calculated Property | |
| McVol | 188.390 | ml/mol | McGowan Calculated Property |
| Pc | 1772.85 | kPa | Joback Calculated Property |
| Inp | [1318.60; 1318.60] |
|
|
| Inp | 1318.60 | NIST | |
| Inp | 1318.60 | NIST | |
| Tboil | 474.81 | K | Relay (... Calculated Property |
| Tc | 594.50 | K | Relay (... Calculated Property |
| Tfus | 224.73 | K | Relay (... Calculated Property |
| Vc | 0.666 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [473.28; 551.50] | J/mol×K | [548.43; 717.41] |
|
| Cp,gas | 473.28 | J/mol×K | 548.43 | Joback Calculated Property |
| Cp,gas | 488.03 | J/mol×K | 576.59 | Joback Calculated Property |
| Cp,gas | 502.06 | J/mol×K | 604.76 | Joback Calculated Property |
| Cp,gas | 515.39 | J/mol×K | 632.92 | Joback Calculated Property |
| Cp,gas | 528.06 | J/mol×K | 661.08 | Joback Calculated Property |
| Cp,gas | 540.08 | J/mol×K | 689.25 | Joback Calculated Property |
| Cp,gas | 551.50 | J/mol×K | 717.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Citronellol, trifluoroacetate.
Sources
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