- InChI
- InChI=1S/C8H8BrNO2/c9-6-5-7-1-3-8(4-2-7)10(11)12/h1-4H,5-6H2
- InChI Key
- NTURQZFFJDCTMZ-UHFFFAOYSA-N
- Formula
- C8H8BrNO2
- SMILES
- O=[N+]([O-])c1ccc(CCBr)cc1
- Molecular Weight1
- 230.06
- CAS
- 5339-26-4
- Other Names
-
- «beta»-(p-Nitrophenyl)ethyl bromide
- p-Nitrophenethyl bromide
- 1-(2-Bromoethyl)-4-nitrobenzene
- 2-(4-Nitrophenyl)ethyl bromide
- 4-(2-Bromoethyl)nitrobenzene
- 1-Bromo-2-(4-nitrophenyl)ethane
- 4-nitrophenethyl bromide
- 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 | 0.6328 | Relay (... Calculated Property | |
| ΔfG° | 169.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 32.08 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 26.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.29 | kJ/mol | Relay (... Calculated Property |
| IE | 9.60 | eV | NIST |
| log10WS | -3.60 | Relay (... Calculated Property | |
| logPoct/wat | 2.532 | Crippen Calculated Property | |
| McVol | 134.740 | ml/mol | McGowan Calculated Property |
| Pc | 3960.52 | kPa | Joback Calculated Property |
| Tboil | 568.99 | K | Relay (... Calculated Property |
| Tc | 808.10 | K | Relay (... Calculated Property |
| Tfus | 334.91 | K | Relay (... Calculated Property |
| Vc | 0.451 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [297.03; 350.21] | J/mol×K | [632.10; 889.86] | 
|
| Cp,gas | 297.03 | J/mol×K | 632.10 | Joback Calculated Property |
| Cp,gas | 307.93 | J/mol×K | 675.06 | Joback Calculated Property |
| Cp,gas | 317.93 | J/mol×K | 718.02 | Joback Calculated Property |
| Cp,gas | 327.09 | J/mol×K | 760.98 | Joback Calculated Property |
| Cp,gas | 335.48 | J/mol×K | 803.94 | Joback Calculated Property |
| Cp,gas | 343.16 | J/mol×K | 846.90 | Joback Calculated Property |
| Cp,gas | 350.21 | J/mol×K | 889.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-(2-bromoethyl)-4-nitro-.
Sources
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