- InChI
- InChI=1S/C7H3F5O/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3
- InChI Key
- ZRQUIRABLIQJRI-UHFFFAOYSA-N
- Formula
- C7H3F5O
- SMILES
- COc1c(F)c(F)c(F)c(F)c1F
- Molecular Weight1
- 198.09
- CAS
- 389-40-2
- Other Names
-
- Pentafluoroanisole
- 2,3,4,5,6-Pentafluoroanisole
- Anisole, 2,3,4,5,6-pentafluoro-
- Methyl pentafluorophenyl ether
- Pentafluorophenyl methyl ether
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- 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).
- 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 |
|---|---|---|---|
| EA | 0.54 ± 0.09 | eV | NIST |
| ΔfG° | -1006.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1121.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.09 | kJ/mol | Joback Calculated Property |
| IE | 9.10 ± 0.02 | eV | NIST |
| log10WS | -3.25 | Crippen Calculated Property | |
| logPoct/wat | 2.391 | Crippen Calculated Property | |
| McVol | 100.450 | ml/mol | McGowan Calculated Property |
| Pc | 2841.41 | kPa | Joback Calculated Property |
| Tboil | [411.00; 411.70] | K |
|
| Tboil | 411.00 | K | NIST |
| Tboil | 411.70 | K | NIST |
| Tc | 596.67 | K | Joback Calculated Property |
| Tfus | 282.85 | K | Joback Calculated Property |
| Vc | 0.427 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [205.28; 242.09] | J/mol×K | [429.91; 596.67] |
|
| Cp,gas | 205.28 | J/mol×K | 429.91 | Joback Calculated Property |
| Cp,gas | 211.81 | J/mol×K | 457.70 | Joback Calculated Property |
| Cp,gas | 218.20 | J/mol×K | 485.50 | Joback Calculated Property |
| Cp,gas | 224.42 | J/mol×K | 513.29 | Joback Calculated Property |
| Cp,gas | 230.49 | J/mol×K | 541.08 | Joback Calculated Property |
| Cp,gas | 236.38 | J/mol×K | 568.87 | Joback Calculated Property |
| Cp,gas | 242.09 | J/mol×K | 596.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, pentafluoromethoxy-.
Sources
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