- InChI
- InChI=1S/C10H9BrO/c11-9-5-3-8(4-6-9)10(12)7-1-2-7/h3-7H,1-2H2
- InChI Key
- QTHHOINSCNBYQO-UHFFFAOYSA-N
- Formula
- C10H9BrO
- SMILES
- O=C(c1ccc(Br)cc1)C1CC1
- Molecular Weight1
- 225.08
- CAS
- 6952-89-2
- Other Names
-
- (4-Bromophenyl)cyclopropylmethanone
- Methanone, (4-bromophenyl)cyclopropyl-
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- Inp : Non-polar retention indices.
- 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° | 82.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -38.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.89 | kJ/mol | Joback Calculated Property |
| log10WS | -3.78 | Crippen Calculated Property | |
| logPoct/wat | 3.042 | Crippen Calculated Property | |
| McVol | 136.210 | ml/mol | McGowan Calculated Property |
| Pc | 3906.25 | kPa | Joback Calculated Property |
| Inp | 1653.00 | NIST | |
| Tboil | 586.63 | K | Joback Calculated Property |
| Tc | 834.67 | K | Joback Calculated Property |
| Tfus | 369.07 | K | Joback Calculated Property |
| Vc | 0.512 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [298.73; 362.34] | J/mol×K | [586.63; 834.67] | 
|
| Cp,gas | 298.73 | J/mol×K | 586.63 | Joback Calculated Property |
| Cp,gas | 311.73 | J/mol×K | 627.97 | Joback Calculated Property |
| Cp,gas | 323.64 | J/mol×K | 669.31 | Joback Calculated Property |
| Cp,gas | 334.55 | J/mol×K | 710.65 | Joback Calculated Property |
| Cp,gas | 344.57 | J/mol×K | 751.99 | Joback Calculated Property |
| Cp,gas | 353.80 | J/mol×K | 793.33 | Joback Calculated Property |
| Cp,gas | 362.34 | J/mol×K | 834.67 | Joback Calculated Property |
| η | [0.0006281; 0.0022041] | Pa×s | [369.07; 586.63] |
|
| η | 0.0022041 | Pa×s | 369.07 | Joback Calculated Property |
| η | 0.0016282 | Pa×s | 405.33 | Joback Calculated Property |
| η | 0.0012641 | Pa×s | 441.59 | Joback Calculated Property |
| η | 0.0010199 | Pa×s | 477.85 | Joback Calculated Property |
| η | 0.0008482 | Pa×s | 514.11 | Joback Calculated Property |
| η | 0.0007227 | Pa×s | 550.37 | Joback Calculated Property |
| η | 0.0006281 | Pa×s | 586.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Bromophenyl cyclopropyl ketone.
Sources
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