- InChI
- InChI=1S/C16H17F5O2/c1-2-3-4-5-6-7-8-9-23-16(22)10-11(17)13(19)15(21)14(20)12(10)18/h6-7H,2-5,8-9H2,1H3/b7-6-
- InChI Key
- NVRREISCYJROIC-SREVYHEPSA-N
- Formula
- C16H17F5O2
- SMILES
-
CCCCCC=CCCOC(=O)c1c(F)c(F)c(F)
c(F)c1F - Molecular Weight1
- 336.30
- 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 | 0.7587 | Relay (... Calculated Property | |
| ΔfG° | -979.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1158.51 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 47.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.26 | kJ/mol | Relay (... Calculated Property |
| IE | 9.33 | eV | Relay (... Calculated Property |
| log10WS | -7.05 | Relay (... Calculated Property | |
| logPoct/wat | 5.066 | Crippen Calculated Property | |
| McVol | 224.530 | ml/mol | McGowan Calculated Property |
| Pc | 1451.25 | kPa | Joback Calculated Property |
| Inp | 1714.00 | NIST | |
| Tboil | 555.21 | K | Relay (... Calculated Property |
| Tc | 737.66 | K | Relay (... Calculated Property |
| Tfus | 248.23 | K | Relay (... Calculated Property |
| Vc | 0.822 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [614.79; 684.54] | J/mol×K | [693.86; 868.31] | 
|
| Cp,gas | 614.79 | J/mol×K | 693.86 | Joback Calculated Property |
| Cp,gas | 627.98 | J/mol×K | 722.94 | Joback Calculated Property |
| Cp,gas | 640.52 | J/mol×K | 752.01 | Joback Calculated Property |
| Cp,gas | 652.44 | J/mol×K | 781.09 | Joback Calculated Property |
| Cp,gas | 663.74 | J/mol×K | 810.16 | Joback Calculated Property |
| Cp,gas | 674.43 | J/mol×K | 839.24 | Joback Calculated Property |
| Cp,gas | 684.54 | J/mol×K | 868.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-Non-3-enyl 2,3,4,5,6-pentafluorobenzoate.
Sources
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