- InChI
- InChI=1S/C8F4N2/c9-5-3(1-13)6(10)8(12)4(2-14)7(5)11
- InChI Key
- PCRSJGWFEMHHEW-UHFFFAOYSA-N
- Formula
- C8F4N2
- SMILES
- N#Cc1c(F)c(F)c(C#N)c(F)c1F
- Molecular Weight1
- 200.09
- CAS
- 1835-49-0
- Other Names
-
- Diamond 2031
- 1,4-Dicyanotetrafluorobenzene
- Terephthalonitrile, tetrafluoro-
- Tetrafluoroterephthalonitrile
- 2,3,5,6-Tetrafluoroterephthalonitrile
- 2,3,5,6-Tetrafluoro-1,4-benzenedicarbonitrile
- 1,4-Dicyano-2,3,5,6-tetrafluorobenzene
- 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 | 1.89 ± 0.10 | eV | NIST |
| ΔfG° | -432.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -483.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.68 | kJ/mol | Joback Calculated Property |
| IE | 10.65 | eV | NIST |
| log10WS | -3.50 | Crippen Calculated Property | |
| logPoct/wat | 1.986 | Crippen Calculated Property | |
| McVol | 109.660 | ml/mol | McGowan Calculated Property |
| Pc | 2603.08 | kPa | Joback Calculated Property |
| Tboil | 635.26 | K | Joback Calculated Property |
| Tc | 843.92 | K | Joback Calculated Property |
| Tfus | 401.28 | K | Joback Calculated Property |
| Vc | 0.499 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [238.69; 266.11] | J/mol×K | [635.26; 843.92] | 
|
| Cp,gas | 238.69 | J/mol×K | 635.26 | Joback Calculated Property |
| Cp,gas | 244.00 | J/mol×K | 670.04 | Joback Calculated Property |
| Cp,gas | 249.01 | J/mol×K | 704.81 | Joback Calculated Property |
| Cp,gas | 253.73 | J/mol×K | 739.59 | Joback Calculated Property |
| Cp,gas | 258.16 | J/mol×K | 774.37 | Joback Calculated Property |
| Cp,gas | 262.28 | J/mol×K | 809.15 | Joback Calculated Property |
| Cp,gas | 266.11 | J/mol×K | 843.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Benzenedicarbonitrile, 2,3,5,6-tetrafluoro-.
Sources
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