- InChI
- InChI=1S/C17H14N2O2/c1-12-3-4-13(2)17(9-12)15(11-18)10-14-5-7-16(8-6-14)19(20)21/h3-10H,1-2H3/b15-10-
- InChI Key
- KIIBMRYMURXPBD-GDNBJRDFSA-N
- Formula
- C17H14N2O2
- SMILES
-
Cc1ccc(C)c(C(C#N)=Cc2ccc([N+](
=O)[O-])cc2)c1 - Molecular Weight1
- 278.31
- CAS
- 31881-17-1
- 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 | 0.7123 | Relay (1.0) Calculated Property | |
| ΔcH°solid | [-8847.00; -8842.67] | kJ/mol |
|
| ΔcH°solid | -8847.00 | kJ/mol | NIST |
| ΔcH°solid | -8842.67 | kJ/mol | NIST |
| ΔfG° | 528.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 282.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | [152.70; 153.00] | kJ/mol |
|
| ΔfH°solid | 153.00 | kJ/mol | NIST |
| ΔfH°solid | 152.70 | kJ/mol | NIST |
| ΔfusH° | 38.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.276 | Crippen Calculated Property | |
| McVol | 217.370 | ml/mol | McGowan Calculated Property |
| Pc | 2086.93 | kPa | Joback Calculated Property |
| Tboil | 660.27 | K | Relay (1.0) Calculated Property |
| Tc | 969.75 | K | Relay (1.0) Calculated Property |
| Tfus | 432.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.749 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [620.33; 679.48] | J/mol×K | [914.62; 1182.06] |
|
| Cp,gas | 620.33 | J/mol×K | 914.62 | Joback Calculated Property |
| Cp,gas | 632.10 | J/mol×K | 959.19 | Joback Calculated Property |
| Cp,gas | 642.94 | J/mol×K | 1003.77 | Joback Calculated Property |
| Cp,gas | 652.98 | J/mol×K | 1048.34 | Joback Calculated Property |
| Cp,gas | 662.34 | J/mol×K | 1092.91 | Joback Calculated Property |
| Cp,gas | 671.13 | J/mol×K | 1137.49 | Joback Calculated Property |
| Cp,gas | 679.48 | J/mol×K | 1182.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to p-Nitrobenzylidene-2,5-dimethylphenylacetonitrile.
Sources
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