- InChI
- InChI=1S/C13H19F5O2/c1-9(2)5-4-6-10(3)7-8-20-11(19)12(14,15)13(16,17)18/h5,10H,4,6-8H2,1-3H3
- InChI Key
- QZVIRMBZIROXLA-UHFFFAOYSA-N
- Formula
- C13H19F5O2
- SMILES
-
CC(C)=CCCC(C)CCOC(=O)C(F)(F)C(
F)(F)F - Molecular Weight1
- 302.28
- 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 | 0.5642 | Relay (... Calculated Property | |
| ΔfG° | -1074.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1573.64 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 28.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.59 | kJ/mol | Relay (... Calculated Property |
| IE | 9.26 | eV | Relay (... Calculated Property |
| log10WS | -5.04 | Relay (... Calculated Property | |
| logPoct/wat | 4.500 | Crippen Calculated Property | |
| McVol | 206.020 | ml/mol | McGowan Calculated Property |
| Pc | 1547.57 | kPa | Joback Calculated Property |
| Inp | 1336.90 | NIST | |
| Tboil | 470.17 | K | Relay (... Calculated Property |
| Tc | 585.87 | K | Relay (... Calculated Property |
| Tfus | 228.02 | K | Relay (... Calculated Property |
| Vc | 0.735 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [542.30; 620.31] | J/mol×K | [566.62; 729.39] | 
|
| Cp,gas | 542.30 | J/mol×K | 566.62 | Joback Calculated Property |
| Cp,gas | 557.15 | J/mol×K | 593.75 | Joback Calculated Property |
| Cp,gas | 571.21 | J/mol×K | 620.88 | Joback Calculated Property |
| Cp,gas | 584.52 | J/mol×K | 648.00 | Joback Calculated Property |
| Cp,gas | 597.12 | J/mol×K | 675.13 | Joback Calculated Property |
| Cp,gas | 609.03 | J/mol×K | 702.26 | Joback Calculated Property |
| Cp,gas | 620.31 | J/mol×K | 729.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Citronellol, pentafluoropropionate.
Sources
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