- InChI
- InChI=1S/C19H12N2O2/c20-13-18(12-17-7-3-4-8-19(17)21(22)23)16-10-9-14-5-1-2-6-15(14)11-16/h1-12H/b18-12-
- InChI Key
- KGDRXPRRXWGHMX-PDGQHHTCSA-N
- Formula
- C19H12N2O2
- SMILES
-
N#CC(=Cc1ccccc1[N+](=O)[O-])c1
ccc2ccccc2c1 - Molecular Weight1
- 300.31
- CAS
- 29476-42-4
- 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).
- 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 |
|---|---|---|---|
| ΔcH°solid | -9434.75 | kJ/mol | NIST |
| ΔfG° | 661.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 467.25 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | 243.60 | kJ/mol | NIST |
| ΔfusH° | 41.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.51 | kJ/mol | Joback Calculated Property |
| log10WS | -6.82 | Crippen Calculated Property | |
| logPoct/wat | 4.812 | Crippen Calculated Property | |
| McVol | 226.090 | ml/mol | McGowan Calculated Property |
| Pc | 2222.89 | kPa | Joback Calculated Property |
| Tboil | 974.38 | K | Joback Calculated Property |
| Tc | 1256.23 | K | Joback Calculated Property |
| Tfus | 604.03 | K | Joback Calculated Property |
| Vc | 0.894 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [651.12; 717.98] | J/mol×K | [974.38; 1256.23] | 
|
| Cp,gas | 651.12 | J/mol×K | 974.38 | Joback Calculated Property |
| Cp,gas | 662.68 | J/mol×K | 1021.36 | Joback Calculated Property |
| Cp,gas | 673.78 | J/mol×K | 1068.33 | Joback Calculated Property |
| Cp,gas | 684.64 | J/mol×K | 1115.31 | Joback Calculated Property |
| Cp,gas | 695.47 | J/mol×K | 1162.28 | Joback Calculated Property |
| Cp,gas | 706.51 | J/mol×K | 1209.26 | Joback Calculated Property |
| Cp,gas | 717.98 | J/mol×K | 1256.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to o-Nitrobenzilidene-2-naphthylacetontrile.
Sources
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