- InChI
- InChI=1S/C19H16N2O2/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/h3-4,7-12H,1-2,5-6H2/b18-12+
- InChI Key
- KNJQLLOVNUGNDQ-LDADJPATSA-N
- Formula
- C19H16N2O2
- SMILES
-
N#CC(=Cc1ccccc1[N+](=O)[O-])c1
ccc2c(c1)CCCC2 - Molecular Weight1
- 304.34
- CAS
- 21848-10-2
- 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 | 0.7431 | Relay (... Calculated Property | |
| ΔcH°solid | -9853.70 | kJ/mol | NIST |
| ΔfG° | 601.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 264.58 | kJ/mol | Relay (... Calculated Property |
| ΔfH°solid | 90.33 | kJ/mol | NIST |
| ΔfusH° | 38.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.33 | kJ/mol | Relay (... Calculated Property |
| IE | 8.43 | eV | Relay (... Calculated Property |
| log10WS | -6.46 | Relay (... Calculated Property | |
| logPoct/wat | 4.538 | Crippen Calculated Property | |
| McVol | 234.690 | ml/mol | McGowan Calculated Property |
| Pc | 2079.33 | kPa | Joback Calculated Property |
| Tboil | 694.04 | K | Relay (... Calculated Property |
| Tc | 1031.11 | K | Relay (... Calculated Property |
| Tfus | 408.34 | K | Relay (... Calculated Property |
| Vc | 0.816 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [713.26; 785.68] | J/mol×K | [976.06; 1253.76] | 
|
| Cp,gas | 713.26 | J/mol×K | 976.06 | Joback Calculated Property |
| Cp,gas | 726.30 | J/mol×K | 1022.34 | Joback Calculated Property |
| Cp,gas | 738.67 | J/mol×K | 1068.63 | Joback Calculated Property |
| Cp,gas | 750.59 | J/mol×K | 1114.91 | Joback Calculated Property |
| Cp,gas | 762.26 | J/mol×K | 1161.19 | Joback Calculated Property |
| Cp,gas | 773.88 | J/mol×K | 1207.47 | Joback Calculated Property |
| Cp,gas | 785.68 | J/mol×K | 1253.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to o-Nitrobenzylidene-5,6,7,8-tetrahydronaphthyl-2-acetonitrile.
Sources
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