- InChI
- InChI=1S/C17H14N2O2/c1-12-6-7-13(2)17(8-12)15(11-18)9-14-4-3-5-16(10-14)19(20)21/h3-10H,1-2H3/b15-9-
- InChI Key
- WAEYMLZYPBKJJR-DHDCSXOGSA-N
- Formula
- C17H14N2O2
- SMILES
-
Cc1ccc(C)c(C(C#N)=Cc2cccc([N+]
(=O)[O-])c2)c1 - Molecular Weight1
- 278.31
- CAS
- 31881-16-0
- 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 | [-8830.00; -8826.44] | kJ/mol |
|
| ΔcH°solid | -8830.00 | kJ/mol | NIST |
| ΔcH°solid | -8826.44 | kJ/mol | NIST |
| ΔfG° | 528.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 305.99 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | [136.00; 136.50] | kJ/mol |
|
| ΔfH°solid | 136.00 | kJ/mol | NIST |
| ΔfH°solid | 136.50 | kJ/mol | NIST |
| ΔfusH° | 38.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.08 | kJ/mol | Joback Calculated Property |
| log10WS | -5.96 | Crippen 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 | 914.62 | K | Joback Calculated Property |
| Tc | 1182.06 | K | Joback Calculated Property |
| Tfus | 561.31 | K | Joback Calculated Property |
| Vc | 0.861 | m3/kmol | Joback 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 m-Nitrobenzylidene-2,5-dimethylphenylacetonitrile.
Sources
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