- InChI
- InChI=1S/C9H9NO2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-7H,1H3/b8-7+
- InChI Key
- WGSVFWFSJDAYBM-BQYQJAHWSA-N
- Formula
- C9H9NO2
- SMILES
- CC(=Cc1ccccc1)[N+](=O)[O-]
- Molecular Weight1
- 163.17
- CAS
- 705-60-2
- Other Names
-
- Benzene, (2-nitro-1-propenyl)-
- «beta»-Methyl-«beta»-nitrostyrene
- 1-Phenyl-2-nitro-1-propene
- (2-Nitropropenyl)benzene
- 1-Phenyl-2-nitropropene
- 2-Nitro-1-phenyl-1-propene
- (2-Nitro-1-propenyl)benzene
- 1-(2-Nitropropenyl)benzene
- 1-Phenyl-2-nitro-propylen-(1,2)
- Benzene, (2-nitropropenyl)-
- Phenyl-2-nitropropene -
- 1-Phenyl-2-nitro-2-methylethene
- 2-Nitro-3-phenyl-2-propene
- NSC 2014
- 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).
- 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 | 0.4145 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -4812.40 ± 2.10 | kJ/mol | NIST |
| ΔfG° | 244.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 100.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.324 | Crippen Calculated Property | |
| McVol | 127.030 | ml/mol | McGowan Calculated Property |
| Pc | 3534.66 | kPa | Joback Calculated Property |
| Tboil | 535.25 | K | Relay (1.0) Calculated Property |
| Tc | 772.82 | K | Relay (1.0) Calculated Property |
| Tfus | 342.77 | K | Relay (1.0) Calculated Property |
| Vc | 0.432 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [291.10; 354.27] | J/mol×K | [587.88; 842.33] | 
|
| Cp,gas | 291.10 | J/mol×K | 587.88 | Joback Calculated Property |
| Cp,gas | 304.05 | J/mol×K | 630.29 | Joback Calculated Property |
| Cp,gas | 315.91 | J/mol×K | 672.70 | Joback Calculated Property |
| Cp,gas | 326.78 | J/mol×K | 715.11 | Joback Calculated Property |
| Cp,gas | 336.74 | J/mol×K | 757.51 | Joback Calculated Property |
| Cp,gas | 345.87 | J/mol×K | 799.92 | Joback Calculated Property |
| Cp,gas | 354.27 | J/mol×K | 842.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, (2-nitropropen-1-yl)-.
Sources
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