- InChI
- InChI=1S/C9H8BrClO/c1-6-4-7(9(12)5-10)2-3-8(6)11/h2-4H,5H2,1H3
- InChI Key
- LUCPZLPBUCDKQE-UHFFFAOYSA-N
- Formula
- C9H8BrClO
- SMILES
- Cc1cc(C(=O)CBr)ccc1Cl
- Molecular Weight1
- 247.52
- CAS
- 205178-80-9
- 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).
- 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° | -8.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -117.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.79 | kJ/mol | Joback Calculated Property |
| log10WS | -3.72 | Crippen Calculated Property | |
| logPoct/wat | 3.226 | Crippen Calculated Property | |
| McVol | 145.220 | ml/mol | McGowan Calculated Property |
| Pc | 3517.91 | kPa | Joback Calculated Property |
| Tboil | 599.42 | K | Joback Calculated Property |
| Tc | 839.20 | K | Joback Calculated Property |
| Tfus | 382.30 | K | Joback Calculated Property |
| Vc | 0.548 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [290.29; 342.13] | J/mol×K | [599.42; 839.20] | 
|
| Cp,gas | 290.29 | J/mol×K | 599.42 | Joback Calculated Property |
| Cp,gas | 300.66 | J/mol×K | 639.38 | Joback Calculated Property |
| Cp,gas | 310.28 | J/mol×K | 679.35 | Joback Calculated Property |
| Cp,gas | 319.20 | J/mol×K | 719.31 | Joback Calculated Property |
| Cp,gas | 327.45 | J/mol×K | 759.27 | Joback Calculated Property |
| Cp,gas | 335.08 | J/mol×K | 799.23 | Joback Calculated Property |
| Cp,gas | 342.13 | J/mol×K | 839.20 | Joback Calculated Property |
| η | [0.0002767; 0.0015102] | Pa×s | [382.30; 599.42] |
|
| η | 0.0015102 | Pa×s | 382.30 | Joback Calculated Property |
| η | 0.0010071 | Pa×s | 418.49 | Joback Calculated Property |
| η | 0.0007164 | Pa×s | 454.67 | Joback Calculated Property |
| η | 0.0005358 | Pa×s | 490.86 | Joback Calculated Property |
| η | 0.0004171 | Pa×s | 527.05 | Joback Calculated Property |
| η | 0.0003353 | Pa×s | 563.23 | Joback Calculated Property |
| η | 0.0002767 | Pa×s | 599.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Chloro-3-methylphenacyl bromide.
Sources
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