- InChI
- InChI=1S/C15H10N2O2/c16-11-14(13-4-2-1-3-5-13)10-12-6-8-15(9-7-12)17(18)19/h1-10H/b14-10+
- InChI Key
- WWCOVEKFRJZIDP-GXDHUFHOSA-N
- Formula
- C15H10N2O2
- SMILES
-
N#CC(=Cc1ccc([N+](=O)[O-])cc1)
c1ccccc1 - Molecular Weight1
- 250.25
- CAS
- 7431-35-8
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase 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 |
|---|---|---|---|
| ω | 0.6424 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -7490.00 | kJ/mol | NIST |
| ΔfG° | 531.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 353.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | 155.00 | kJ/mol | NIST |
| ΔfusH° | 34.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.659 | Crippen Calculated Property | |
| McVol | 189.190 | ml/mol | McGowan Calculated Property |
| Pc | 2584.59 | kPa | Joback Calculated Property |
| Tboil | 649.08 | K | Relay (1.0) Calculated Property |
| Tc | 959.25 | K | Relay (1.0) Calculated Property |
| Tfus | 447.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.650 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [514.14; 569.03] | J/mol×K | [858.90; 1137.09] | 
|
| Cp,gas | 514.14 | J/mol×K | 858.90 | Joback Calculated Property |
| Cp,gas | 525.21 | J/mol×K | 905.26 | Joback Calculated Property |
| Cp,gas | 535.30 | J/mol×K | 951.63 | Joback Calculated Property |
| Cp,gas | 544.57 | J/mol×K | 997.99 | Joback Calculated Property |
| Cp,gas | 553.19 | J/mol×K | 1044.36 | Joback Calculated Property |
| Cp,gas | 561.29 | J/mol×K | 1090.72 | Joback Calculated Property |
| Cp,gas | 569.03 | J/mol×K | 1137.09 | Joback Calculated Property |
Similar Compounds
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Sources
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