- InChI
- InChI=1S/C13H17F5O2/c1-5-11(4,8-6-7-9(2)3)20-10(19)12(14,15)13(16,17)18/h5,7H,1,6,8H2,2-4H3
- InChI Key
- SNDNFABRJVXQNR-UHFFFAOYSA-N
- Formula
- C13H17F5O2
- SMILES
-
C=CC(C)(CCC=C(C)C)OC(=O)C(F)(F
)C(F)(F)F - Molecular Weight1
- 300.26
- 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° | -981.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1330.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.08 | kJ/mol | Joback Calculated Property |
| log10WS | -4.92 | Crippen Calculated Property | |
| logPoct/wat | 4.418 | Crippen Calculated Property | |
| McVol | 201.720 | ml/mol | McGowan Calculated Property |
| Pc | 1614.17 | kPa | Joback Calculated Property |
| Inp | [1312.40; 1312.40] |
|
|
| Inp | 1312.40 | NIST | |
| Inp | 1312.40 | NIST | |
| Tboil | 560.51 | K | Joback Calculated Property |
| Tc | 730.79 | K | Joback Calculated Property |
| Tfus | 297.84 | K | Joback Calculated Property |
| Vc | 0.806 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [524.71; 600.88] | J/mol×K | [560.51; 730.79] |
|
| Cp,gas | 524.71 | J/mol×K | 560.51 | Joback Calculated Property |
| Cp,gas | 539.53 | J/mol×K | 588.89 | Joback Calculated Property |
| Cp,gas | 553.42 | J/mol×K | 617.27 | Joback Calculated Property |
| Cp,gas | 566.45 | J/mol×K | 645.65 | Joback Calculated Property |
| Cp,gas | 578.67 | J/mol×K | 674.03 | Joback Calculated Property |
| Cp,gas | 590.13 | J/mol×K | 702.41 | Joback Calculated Property |
| Cp,gas | 600.88 | J/mol×K | 730.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Linalool, pentafluoropropionate.
Sources
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