- InChI
- InChI=1S/C10H6BrNO2/c11-9-5-1-4-8-7(9)3-2-6-10(8)12(13)14/h1-6H
- InChI Key
- OTYRDQXZRJZHOX-UHFFFAOYSA-N
- Formula
- C10H6BrNO2
- SMILES
- O=[N+]([O-])c1cccc2c(Br)cccc12
- Molecular Weight1
- 252.06
- CAS
- 5328-76-7
- Other Names
-
- 1-Bromo-5-nitronaphthalene
- 5-Bromo-1-nitronaphthalene
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 282.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 170.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.12 | kJ/mol | Joback Calculated Property |
| log10WS | -5.09 | Crippen Calculated Property | |
| logPoct/wat | 3.510 | Crippen Calculated Property | |
| McVol | 143.460 | ml/mol | McGowan Calculated Property |
| Pc | 4156.97 | kPa | Joback Calculated Property |
| Tboil | 701.82 | K | Joback Calculated Property |
| Tc | 981.59 | K | Joback Calculated Property |
| Tfus | 490.03 | K | Joback Calculated Property |
| Vc | 0.553 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [324.04; 372.60] | J/mol×K | [701.82; 981.59] | 
|
| Cp,gas | 324.04 | J/mol×K | 701.82 | Joback Calculated Property |
| Cp,gas | 334.00 | J/mol×K | 748.45 | Joback Calculated Property |
| Cp,gas | 343.05 | J/mol×K | 795.08 | Joback Calculated Property |
| Cp,gas | 351.29 | J/mol×K | 841.71 | Joback Calculated Property |
| Cp,gas | 358.88 | J/mol×K | 888.33 | Joback Calculated Property |
| Cp,gas | 365.94 | J/mol×K | 934.96 | Joback Calculated Property |
| Cp,gas | 372.60 | J/mol×K | 981.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Naphthalene, 1-bromo-5-nitro-.
Sources
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