- InChI
- InChI=1S/C14H11NO2/c16-15(17)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H/b7-6+
- InChI Key
- ZISCOWXWCHUSMH-VOTSOKGWSA-N
- Formula
- C14H11NO2
- SMILES
-
O=[N+]([O-])c1ccc(C=Cc2ccccc2)
cc1 - Molecular Weight1
- 225.24
- CAS
- 1694-20-8
- Other Names
-
- trans-p-Nitrostilbene
- trans-4-Nitrostilbene
- Benzene, 1-nitro-4-(2-phenylethenyl)-, (E)-
- Stilbene, 4-nitro-, (E)-
- 4-Nitrostilbene, trans
- 4-Nitro-trans-stilbene
- trans-4-Mononitrostilbene
- 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 | -7183.90 ± 2.90 | kJ/mol | NIST |
| ΔfG° | 397.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 235.76 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | 102.70 ± 3.00 | kJ/mol | NIST |
| ΔfusH° | 31.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.52 | kJ/mol | Joback Calculated Property |
| log10WS | -4.73 | Crippen Calculated Property | |
| logPoct/wat | 3.765 | Crippen Calculated Property | |
| McVol | 173.720 | ml/mol | McGowan Calculated Property |
| Pc | 2918.68 | kPa | Joback Calculated Property |
| Tboil | 734.06 | K | Joback Calculated Property |
| Tc | 1006.92 | K | Joback Calculated Property |
| Tfus | 451.43 | K | Joback Calculated Property |
| Vc | 0.665 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [451.07; 518.48] | J/mol×K | [734.06; 1006.92] | 
|
| Cp,gas | 451.07 | J/mol×K | 734.06 | Joback Calculated Property |
| Cp,gas | 465.08 | J/mol×K | 779.54 | Joback Calculated Property |
| Cp,gas | 477.79 | J/mol×K | 825.01 | Joback Calculated Property |
| Cp,gas | 489.35 | J/mol×K | 870.49 | Joback Calculated Property |
| Cp,gas | 499.89 | J/mol×K | 915.97 | Joback Calculated Property |
| Cp,gas | 509.55 | J/mol×K | 961.45 | Joback Calculated Property |
| Cp,gas | 518.48 | J/mol×K | 1006.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-4-Nitrostilbene.
Sources
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