- InChI
- InChI=1S/C8H2F5N/c9-4-3(1-2-14)5(10)7(12)8(13)6(4)11/h1H2
- InChI Key
- YDNOJUAQBFXZCR-UHFFFAOYSA-N
- Formula
- C8H2F5N
- SMILES
- N#CCc1c(F)c(F)c(F)c(F)c1F
- Molecular Weight1
- 207.10
- CAS
- 653-30-5
- Other Names
-
- Pentafluorophenylacetonitrile
- Benzeneacetonitrile, 2,3,4,5,6-pentafluoro-
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.5316 | Relay (1.0) Calculated Property | |
| ΔfG° | -760.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -584.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.448 | Crippen Calculated Property | |
| McVol | 110.050 | ml/mol | McGowan Calculated Property |
| Pc | 2550.76 | kPa | Joback Calculated Property |
| Tboil | 464.48 | K | Relay (1.0) Calculated Property |
| Tc | 674.09 | K | Relay (1.0) Calculated Property |
| Tfus | 345.08 | K | Relay (1.0) Calculated Property |
| Vc | 0.413 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [239.74; 275.05] | J/mol×K | [532.45; 717.16] | 
|
| Cp,gas | 239.74 | J/mol×K | 532.45 | Joback Calculated Property |
| Cp,gas | 246.31 | J/mol×K | 563.24 | Joback Calculated Property |
| Cp,gas | 252.61 | J/mol×K | 594.02 | Joback Calculated Property |
| Cp,gas | 258.63 | J/mol×K | 624.81 | Joback Calculated Property |
| Cp,gas | 264.38 | J/mol×K | 655.59 | Joback Calculated Property |
| Cp,gas | 269.85 | J/mol×K | 686.38 | Joback Calculated Property |
| Cp,gas | 275.05 | J/mol×K | 717.16 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 382.00 ± 2.00 | K | 2.30 | NIST |
Similar Compounds
Find more compounds similar to 2,3,4,5,6-Pentafluorophenylacetonitrile.
Sources
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