- InChI
- InChI=1S/C8H3N3O2/c9-4-6-2-1-3-8(11(12)13)7(6)5-10/h1-3H
- InChI Key
- UZJZIZFCQFZDHP-UHFFFAOYSA-N
- Formula
- C8H3N3O2
- SMILES
- N#Cc1cccc([N+](=O)[O-])c1C#N
- Molecular Weight1
- 173.13
- Other Names
-
- 3-nitro-1,2-benzenedicarbonitrile
- 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).
- Ttriple : Triple Point Temperature (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° | 411.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 324.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.20 | kJ/mol | Solubil... |
| ΔvapH° | 74.55 | kJ/mol | Joback Calculated Property |
| log10WS | -2.83 | Crippen Calculated Property | |
| logPoct/wat | 1.338 | Crippen Calculated Property | |
| McVol | 120.000 | ml/mol | McGowan Calculated Property |
| Pc | 3368.44 | kPa | Joback Calculated Property |
| Tboil | 775.08 | K | Joback Calculated Property |
| Tc | 1043.50 | K | Joback Calculated Property |
| Tfus | 504.97 | K | Joback Calculated Property |
| Ttriple | 435.55 | K | Solubil... |
| Vc | 0.509 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [280.31; 310.14] | J/mol×K | [775.08; 1043.50] | 
|
| Cp,gas | 280.31 | J/mol×K | 775.08 | Joback Calculated Property |
| Cp,gas | 286.77 | J/mol×K | 819.82 | Joback Calculated Property |
| Cp,gas | 292.58 | J/mol×K | 864.55 | Joback Calculated Property |
| Cp,gas | 297.79 | J/mol×K | 909.29 | Joback Calculated Property |
| Cp,gas | 302.43 | J/mol×K | 954.03 | Joback Calculated Property |
| Cp,gas | 306.53 | J/mol×K | 998.77 | Joback Calculated Property |
| Cp,gas | 310.14 | J/mol×K | 1043.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-nitrophthalonitrile.
Sources
- Crippen Method
- Crippen Method
- Solubility and Solution Thermodynamics of 3-Nitrophthalonitrile in 12 Neat Solvents at Temperatures from 278.15 to 323.15 K
- Joback Method
- McGowan Method
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