- InChI
- InChI=1S/C15H16ClF5O2/c16-7-5-3-1-2-4-6-8-23-15(22)9-10(17)12(19)14(21)13(20)11(9)18/h1-8H2
- InChI Key
- YRUIEPYRCAHRFQ-UHFFFAOYSA-N
- Formula
- C15H16ClF5O2
- SMILES
-
O=C(OCCCCCCCCCl)c1c(F)c(F)c(F)
c(F)c1F - Molecular Weight1
- 358.73
- 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 | 0.8711 | Relay (... Calculated Property | |
| ΔfG° | -1080.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1208.46 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 49.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.38 | kJ/mol | Relay (... Calculated Property |
| IE | 9.90 | eV | Relay (... Calculated Property |
| log10WS | -7.40 | Relay (... Calculated Property | |
| logPoct/wat | 5.118 | Crippen Calculated Property | |
| McVol | 226.980 | ml/mol | McGowan Calculated Property |
| Pc | 1459.02 | kPa | Joback Calculated Property |
| Inp | [1925.00; 1937.00] |
|
|
| Inp | 1925.00 | NIST | |
| Inp | 1937.00 | NIST | |
| Tboil | 563.74 | K | Relay (... Calculated Property |
| Tc | 767.36 | K | Relay (... Calculated Property |
| Tfus | 291.06 | K | Relay (... Calculated Property |
| Vc | 0.847 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [612.20; 677.81] | J/mol×K | [704.25; 878.93] |
|
| Cp,gas | 612.20 | J/mol×K | 704.25 | Joback Calculated Property |
| Cp,gas | 624.68 | J/mol×K | 733.36 | Joback Calculated Property |
| Cp,gas | 636.54 | J/mol×K | 762.48 | Joback Calculated Property |
| Cp,gas | 647.77 | J/mol×K | 791.59 | Joback Calculated Property |
| Cp,gas | 658.39 | J/mol×K | 820.70 | Joback Calculated Property |
| Cp,gas | 668.40 | J/mol×K | 849.82 | Joback Calculated Property |
| Cp,gas | 677.81 | J/mol×K | 878.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 8-Chlorooctyl 2,3,4,5,6-pentafluorobenzoate.
Sources
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