- InChI
- InChI=1S/C7F5N/c8-3-2(1-13)4(9)6(11)7(12)5(3)10
- InChI Key
- YXWJGZQOGXGSSC-UHFFFAOYSA-N
- Formula
- C7F5N
- SMILES
- N#Cc1c(F)c(F)c(F)c(F)c1F
- Molecular Weight1
- 193.07
- CAS
- 773-82-0
- Other Names
-
- Pentafluorobenzonitrile
- Perfluorobenzonitrile
- 2,3,4,5,6-Pentafluorobenzonitrile
- Pentafluorocyanobenzene
- Cyanopentafluorobenzene
- 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 | 1.08 ± 0.11 | eV | NIST |
| ΔfG° | -768.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -824.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.16 | kJ/mol | Joback Calculated Property |
| IE | [10.10; 10.45] | eV |
|
| IE | 10.10 | eV | NIST |
| IE | 10.45 | eV | NIST |
| log10WS | -3.48 | Crippen Calculated Property | |
| logPoct/wat | 2.254 | Crippen Calculated Property | |
| McVol | 95.960 | ml/mol | McGowan Calculated Property |
| Pc | 2817.33 | kPa | Joback Calculated Property |
| Tboil | [435.00; 435.20] | K |
|
| Tboil | 435.00 | K | NIST |
| Tboil | 435.20 | K | NIST |
| Tc | 696.35 | K | Joback Calculated Property |
| Tfus | 325.61 | K | Joback Calculated Property |
| Vc | 0.435 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [199.72; 228.68] | J/mol×K | [509.57; 696.35] |
|
| Cp,gas | 199.72 | J/mol×K | 509.57 | Joback Calculated Property |
| Cp,gas | 205.09 | J/mol×K | 540.70 | Joback Calculated Property |
| Cp,gas | 210.25 | J/mol×K | 571.83 | Joback Calculated Property |
| Cp,gas | 215.19 | J/mol×K | 602.96 | Joback Calculated Property |
| Cp,gas | 219.91 | J/mol×K | 634.09 | Joback Calculated Property |
| Cp,gas | 224.40 | J/mol×K | 665.22 | Joback Calculated Property |
| Cp,gas | 228.68 | J/mol×K | 696.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzonitrile, pentafluoro-.
Sources
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