- InChI
- InChI=1S/C14H19F7O2/c1-9(2)5-4-6-10(3)7-8-23-11(22)12(15,16)13(17,18)14(19,20)21/h5,10H,4,6-8H2,1-3H3
- InChI Key
- YCJAGTWYIJIPQF-UHFFFAOYSA-N
- Formula
- C14H19F7O2
- SMILES
-
CC(C)=CCCC(C)CCOC(=O)C(F)(F)C(
F)(F)C(F)(F)F - Molecular Weight1
- 352.29
- 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 | 0.6053 | Relay (1.0) Calculated Property | |
| ΔfG° | -1452.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1989.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.135 | Crippen Calculated Property | |
| McVol | 223.650 | ml/mol | McGowan Calculated Property |
| Pc | 1362.64 | kPa | Joback Calculated Property |
| Inp | 1363.40 | NIST | |
| Tboil | 481.59 | K | Relay (1.0) Calculated Property |
| Tc | 592.79 | K | Relay (1.0) Calculated Property |
| Tfus | 222.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.807 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [612.50; 689.93] | J/mol×K | [584.81; 742.55] | 
|
| Cp,gas | 612.50 | J/mol×K | 584.81 | Joback Calculated Property |
| Cp,gas | 627.34 | J/mol×K | 611.10 | Joback Calculated Property |
| Cp,gas | 641.36 | J/mol×K | 637.39 | Joback Calculated Property |
| Cp,gas | 654.58 | J/mol×K | 663.68 | Joback Calculated Property |
| Cp,gas | 667.05 | J/mol×K | 689.97 | Joback Calculated Property |
| Cp,gas | 678.82 | J/mol×K | 716.26 | Joback Calculated Property |
| Cp,gas | 689.93 | J/mol×K | 742.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Citronellol, heptafluorobutyrate.
Sources
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