- InChI
- InChI=1S/C8H7NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+
- InChI Key
- PIAOLBVUVDXHHL-VOTSOKGWSA-N
- Formula
- C8H7NO2
- SMILES
- O=[N+]([O-])C=Cc1ccccc1
- Molecular Weight1
- 149.15
- CAS
- 5153-67-3
- Other Names
-
- trans-«beta»-Nitrostyrene
- Benzene, (2-nitroethenyl)-, (E)-
- ω : Acentric Factor.
- 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).
- 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 | 0.4269 | Relay (1.0) Calculated Property | |
| ΔfG° | 244.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 121.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.934 | Crippen Calculated Property | |
| McVol | 112.940 | ml/mol | McGowan Calculated Property |
| Pc | 3950.57 | kPa | Joback Calculated Property |
| Tboil | 528.20 | K | NIST |
| Tc | 761.39 | K | Relay (1.0) Calculated Property |
| Tfus | 328.87 | K | Relay (1.0) Calculated Property |
| Vc | 0.378 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [246.26; 303.34] | J/mol×K | [565.12; 820.37] | 
|
| Cp,gas | 246.26 | J/mol×K | 565.12 | Joback Calculated Property |
| Cp,gas | 258.06 | J/mol×K | 607.66 | Joback Calculated Property |
| Cp,gas | 268.84 | J/mol×K | 650.20 | Joback Calculated Property |
| Cp,gas | 278.67 | J/mol×K | 692.75 | Joback Calculated Property |
| Cp,gas | 287.64 | J/mol×K | 735.29 | Joback Calculated Property |
| Cp,gas | 295.84 | J/mol×K | 777.83 | Joback Calculated Property |
| Cp,gas | 303.34 | J/mol×K | 820.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Styrene, «beta»-nitro-, (E)-.
Sources
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