- InChI
- InChI=1S/C18H21F5O2/c1-2-3-4-5-6-7-8-9-10-11-25-18(24)12-13(19)15(21)17(23)16(22)14(12)20/h9-10H,2-8,11H2,1H3/b10-9+
- InChI Key
- MFMYOCNWFRJXBK-MDZDMXLPSA-N
- Formula
- C18H21F5O2
- SMILES
-
CCCCCCCCC=CCOC(=O)c1c(F)c(F)c(
F)c(F)c1F - Molecular Weight1
- 364.35
- 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 | 0.8435 | Relay (... Calculated Property | |
| ΔfG° | -962.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1191.37 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 52.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.98 | kJ/mol | Relay (... Calculated Property |
| IE | 9.35 | eV | Relay (... Calculated Property |
| log10WS | -7.92 | Relay (... Calculated Property | |
| logPoct/wat | 5.846 | Crippen Calculated Property | |
| McVol | 252.710 | ml/mol | McGowan Calculated Property |
| Pc | 1260.16 | kPa | Joback Calculated Property |
| Inp | 1909.00 | NIST | |
| Tboil | 572.06 | K | Relay (... Calculated Property |
| Tc | 760.45 | K | Relay (... Calculated Property |
| Tfus | 261.09 | K | Relay (... Calculated Property |
| Vc | 0.930 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [724.07; 799.00] | J/mol×K | [739.62; 915.68] | 
|
| Cp,gas | 724.07 | J/mol×K | 739.62 | Joback Calculated Property |
| Cp,gas | 738.32 | J/mol×K | 768.96 | Joback Calculated Property |
| Cp,gas | 751.83 | J/mol×K | 798.31 | Joback Calculated Property |
| Cp,gas | 764.64 | J/mol×K | 827.65 | Joback Calculated Property |
| Cp,gas | 776.76 | J/mol×K | 857.00 | Joback Calculated Property |
| Cp,gas | 788.21 | J/mol×K | 886.34 | Joback Calculated Property |
| Cp,gas | 799.00 | J/mol×K | 915.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentafluorobenzoic acid, undec-2-enyl ester.
Sources
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