- InChI
- InChI=1S/C9H3N3/c10-4-7-1-2-8(5-11)9(3-7)6-12/h1-3H
- InChI Key
- RTJRHFSBKHHQEI-UHFFFAOYSA-N
- Formula
- C9H3N3
- SMILES
- N#Cc1ccc(C#N)c(C#N)c1
- Molecular Weight1
- 153.14
- CAS
- 10347-14-5
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 517.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 479.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.66 | kJ/mol | Joback Calculated Property |
| log10WS | -2.53 | Crippen Calculated Property | |
| logPoct/wat | 1.302 | Crippen Calculated Property | |
| McVol | 118.050 | ml/mol | McGowan Calculated Property |
| Pc | 2902.98 | kPa | Joback Calculated Property |
| Tboil | 748.20 | K | Joback Calculated Property |
| Tc | 1003.02 | K | Joback Calculated Property |
| Tfus | 437.62 | K | Joback Calculated Property |
| Vc | 0.509 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [259.51; 288.73] | J/mol×K | [748.20; 1003.02] | 
|
| Cp,gas | 259.51 | J/mol×K | 748.20 | Joback Calculated Property |
| Cp,gas | 265.61 | J/mol×K | 790.67 | Joback Calculated Property |
| Cp,gas | 271.18 | J/mol×K | 833.14 | Joback Calculated Property |
| Cp,gas | 276.25 | J/mol×K | 875.61 | Joback Calculated Property |
| Cp,gas | 280.86 | J/mol×K | 918.08 | Joback Calculated Property |
| Cp,gas | 285.01 | J/mol×K | 960.55 | Joback Calculated Property |
| Cp,gas | 288.73 | J/mol×K | 1003.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene-1,2,4-tricarbonitrile.
Sources
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