- InChI
- InChI=1S/C12H7BrO/c13-10-5-4-9-11(14)6-7-2-1-3-8(10)12(7)9/h1-5H,6H2
- InChI Key
- HFUWXIPPBJXMFN-UHFFFAOYSA-N
- Formula
- C12H7BrO
- SMILES
- O=C1Cc2cccc3c(Br)ccc1c23
- Molecular Weight1
- 247.09
- CAS
- 5386-09-4
- 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 | 0.5402 | Relay (1.0) Calculated Property | |
| ΔfG° | 212.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 30.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.341 | Crippen Calculated Property | |
| McVol | 144.930 | ml/mol | McGowan Calculated Property |
| Pc | 3920.94 | kPa | Joback Calculated Property |
| Tboil | 641.10 | K | Relay (1.0) Calculated Property |
| Tc | 925.10 | K | Relay (1.0) Calculated Property |
| Tfus | 424.46 | K | Relay (1.0) Calculated Property |
| Vc | 0.533 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [332.39; 389.64] | J/mol×K | [675.68; 944.36] | 
|
| Cp,gas | 332.39 | J/mol×K | 675.68 | Joback Calculated Property |
| Cp,gas | 343.73 | J/mol×K | 720.46 | Joback Calculated Property |
| Cp,gas | 354.17 | J/mol×K | 765.24 | Joback Calculated Property |
| Cp,gas | 363.85 | J/mol×K | 810.02 | Joback Calculated Property |
| Cp,gas | 372.91 | J/mol×K | 854.80 | Joback Calculated Property |
| Cp,gas | 381.46 | J/mol×K | 899.58 | Joback Calculated Property |
| Cp,gas | 389.64 | J/mol×K | 944.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Bromoacenaphthenone-2.
Sources
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