- InChI
- InChI=1S/C20H23F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-27-20(26)14-15(21)17(23)19(25)18(24)16(14)22/h2-10,13H2,1H3
- InChI Key
- OOSBOESRAMWXPK-UHFFFAOYSA-N
- Formula
- C20H23F5O2
- SMILES
-
CCCCCCCCCCC#CCOC(=O)c1c(F)c(F)
c(F)c(F)c1F - Molecular Weight1
- 390.39
- 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 | 0.8964 | Relay (... Calculated Property | |
| ΔfG° | -823.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1026.90 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 60.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.50 | kJ/mol | Relay (... Calculated Property |
| IE | 9.31 | eV | Relay (... Calculated Property |
| log10WS | -8.62 | Relay (... Calculated Property | |
| logPoct/wat | 6.073 | Crippen Calculated Property | |
| McVol | 276.590 | ml/mol | McGowan Calculated Property |
| Pc | 1188.24 | kPa | Joback Calculated Property |
| Inp | [2118.00; 2118.00] |
|
|
| Inp | 2118.00 | NIST | |
| Inp | 2118.00 | NIST | |
| Tboil | 586.98 | K | Relay (... Calculated Property |
| Tc | 791.61 | K | Relay (... Calculated Property |
| Tfus | 298.54 | K | Relay (... Calculated Property |
| Vc | 1.022 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [813.97; 890.96] | J/mol×K | [790.22; 974.96] |
|
| Cp,gas | 813.97 | J/mol×K | 790.22 | Joback Calculated Property |
| Cp,gas | 828.87 | J/mol×K | 821.01 | Joback Calculated Property |
| Cp,gas | 842.93 | J/mol×K | 851.80 | Joback Calculated Property |
| Cp,gas | 856.16 | J/mol×K | 882.59 | Joback Calculated Property |
| Cp,gas | 868.56 | J/mol×K | 913.38 | Joback Calculated Property |
| Cp,gas | 880.16 | J/mol×K | 944.17 | Joback Calculated Property |
| Cp,gas | 890.96 | J/mol×K | 974.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentafluorobenzoic acid, tridec-2-ynyl ester.
Sources
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