- InChI
- InChI=1S/C10H2N4/c11-3-7-1-8(4-12)10(6-14)2-9(7)5-13/h1-2H
- InChI Key
- FAAXSAZENACQBT-UHFFFAOYSA-N
- Formula
- C10H2N4
- SMILES
- N#Cc1cc(C#N)c(C#N)cc1C#N
- Molecular Weight1
- 178.15
- CAS
- 712-74-3
- Other Names
-
- s-Tetracyanobenzene
- Benzene, 1,2,4,5-tetracyano-
- Pyromellitic tetranitrile
- Pyromellitonitrile
- Pyromellitotetranitrile
- 1,2,4,5-Benzenetetranitrile
- 1,2,4,5-Tetracyanobenzene
- 1,2,4,5-Benzentetrakarbonitril
- sym-Tetracyanobenzene
- Pyromellitic acid tetranitrile
- Pyromellitic nitrile
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase 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).
- S°solid,1 bar : Solid phase molar entropy at standard conditions (J/mol×K).
- 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 | 0.6087 | Relay (1.0) Calculated Property | |
| EA | 2.20 ± 0.22 | eV | NIST |
| ΔfG° | 649.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 621.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.173 | Crippen Calculated Property | |
| McVol | 133.520 | ml/mol | McGowan Calculated Property |
| Pc | 2520.12 | kPa | Joback Calculated Property |
| S°solid,1 bar | 252.70 | J/mol×K | NIST |
| Tboil | 580.07 | K | Relay (1.0) Calculated Property |
| Tc | 855.91 | K | Relay (1.0) Calculated Property |
| Tfus | 526.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.491 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [301.43; 322.62] | J/mol×K | [878.14; 1136.76] | 
|
| Cp,gas | 301.43 | J/mol×K | 878.14 | Joback Calculated Property |
| Cp,gas | 306.16 | J/mol×K | 921.24 | Joback Calculated Property |
| Cp,gas | 310.38 | J/mol×K | 964.35 | Joback Calculated Property |
| Cp,gas | 314.12 | J/mol×K | 1007.45 | Joback Calculated Property |
| Cp,gas | 317.40 | J/mol×K | 1050.55 | Joback Calculated Property |
| Cp,gas | 320.23 | J/mol×K | 1093.65 | Joback Calculated Property |
| Cp,gas | 322.62 | J/mol×K | 1136.76 | Joback Calculated Property |
| Cp,solid | 222.30 | J/mol×K | 298.15 | NIST |
Similar Compounds
Find more compounds similar to 1,2,4,5-Benzenetetracarbonitrile.
Sources
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