- InChI
- InChI=1S/C19H25F7O2/c1-15(2)7-4-8-16(3)11-6-5-10(13(11)15)12(16)9-28-14(27)17(20,21)18(22,23)19(24,25)26/h10-13H,4-9H2,1-3H3
- InChI Key
- UZBXZJGGLZIZQD-UHFFFAOYSA-N
- Formula
- C19H25F7O2
- SMILES
-
CC1(C)CCCC2(C)C(COC(=O)C(F)(F)
C(F)(F)C(F)(F)F)C3CCC2C31 - Molecular Weight1
- 418.39
- 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 | 0.5754 | Relay (... Calculated Property | |
| ΔfG° | -1356.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1983.49 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 27.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.03 | kJ/mol | Relay (... Calculated Property |
| IE | 9.77 | eV | Relay (... Calculated Property |
| log10WS | -6.78 | Relay (... Calculated Property | |
| logPoct/wat | 5.851 | Crippen Calculated Property | |
| McVol | 265.820 | ml/mol | McGowan Calculated Property |
| Pc | 1254.81 | kPa | Joback Calculated Property |
| Inp | [1678.00; 1678.00] |
|
|
| Inp | 1678.00 | NIST | |
| Inp | 1678.00 | NIST | |
| Tboil | 570.66 | K | Relay (... Calculated Property |
| Tc | 769.39 | K | Relay (... Calculated Property |
| Tfus | 329.31 | K | Relay (... Calculated Property |
| Vc | 1.003 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [869.87; 978.78] | J/mol×K | [710.84; 898.97] |
|
| Cp,gas | 869.87 | J/mol×K | 710.84 | Joback Calculated Property |
| Cp,gas | 889.29 | J/mol×K | 742.20 | Joback Calculated Property |
| Cp,gas | 907.93 | J/mol×K | 773.55 | Joback Calculated Property |
| Cp,gas | 925.98 | J/mol×K | 804.91 | Joback Calculated Property |
| Cp,gas | 943.66 | J/mol×K | 836.26 | Joback Calculated Property |
| Cp,gas | 961.19 | J/mol×K | 867.62 | Joback Calculated Property |
| Cp,gas | 978.78 | J/mol×K | 898.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (-)-Isolongifolol, heptafluorobutyrate.
Sources
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