- InChI
- InChI=1S/C8H11BrO/c1-8(2)4-6(9)3-7(10)5-8/h3H,4-5H2,1-2H3
- InChI Key
- LPZGJNIBSGPOED-UHFFFAOYSA-N
- Formula
- C8H11BrO
- SMILES
- CC1(C)CC(=O)C=C(Br)C1
- Molecular Weight1
- 203.08
- CAS
- 13271-49-3
- Other Names
-
- 5,5-Dimethyl-3-bromocyclohex-2-enone
- 3-Bromo-5,5-dimethyl-cyclohex-2-enone
- 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 | 0.3523 | Relay (1.0) Calculated Property | |
| ΔfG° | -52.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -178.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.35 | eV | NIST |
| log10WS | -2.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.654 | Crippen Calculated Property | |
| McVol | 127.490 | ml/mol | McGowan Calculated Property |
| Pc | 3853.09 | kPa | Joback Calculated Property |
| Tboil | 499.71 | K | Relay (1.0) Calculated Property |
| Tc | 711.42 | K | Relay (1.0) Calculated Property |
| Tfus | 328.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.422 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [270.93; 345.27] | J/mol×K | [540.35; 791.23] | 
|
| Cp,gas | 270.93 | J/mol×K | 540.35 | Joback Calculated Property |
| Cp,gas | 285.19 | J/mol×K | 582.16 | Joback Calculated Property |
| Cp,gas | 298.53 | J/mol×K | 623.98 | Joback Calculated Property |
| Cp,gas | 311.08 | J/mol×K | 665.79 | Joback Calculated Property |
| Cp,gas | 322.97 | J/mol×K | 707.60 | Joback Calculated Property |
| Cp,gas | 334.32 | J/mol×K | 749.42 | Joback Calculated Property |
| Cp,gas | 345.27 | J/mol×K | 791.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Cyclohexenone,3-bromo,5,5-dimethyl-.
Sources
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