- InChI
- InChI=1S/C3H2BrCl3O/c4-3(6,7)2(8)1-5/h1H2
- InChI Key
- LZGRQTQVHSDAQR-UHFFFAOYSA-N
- Formula
- C3H2BrCl3O
- SMILES
- O=C(CCl)C(Cl)(Cl)Br
- Molecular Weight1
- 240.31
- CAS
- 16995-36-1
- ω : Acentric Factor.
- 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).
- 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 | 0.3164 | Relay (... Calculated Property | |
| ΔfG° | -173.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -200.66 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 15.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.67 | kJ/mol | Relay (... Calculated Property |
| IE | 10.15 | eV | Relay (... Calculated Property |
| log10WS | -2.40 | Relay (... Calculated Property | |
| logPoct/wat | 2.321 | Crippen Calculated Property | |
| McVol | 108.920 | ml/mol | McGowan Calculated Property |
| Pc | 4652.99 | kPa | Joback Calculated Property |
| Tboil | 472.57 | K | Relay (... Calculated Property |
| Tc | 690.17 | K | Relay (... Calculated Property |
| Tfus | 287.67 | K | Relay (... Calculated Property |
| Vc | 0.376 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [164.41; 186.40] | J/mol×K | [497.13; 734.47] | 
|
| Cp,gas | 164.41 | J/mol×K | 497.13 | Joback Calculated Property |
| Cp,gas | 169.35 | J/mol×K | 536.69 | Joback Calculated Property |
| Cp,gas | 173.70 | J/mol×K | 576.24 | Joback Calculated Property |
| Cp,gas | 177.53 | J/mol×K | 615.80 | Joback Calculated Property |
| Cp,gas | 180.89 | J/mol×K | 655.36 | Joback Calculated Property |
| Cp,gas | 183.82 | J/mol×K | 694.91 | Joback Calculated Property |
| Cp,gas | 186.40 | J/mol×K | 734.47 | Joback Calculated Property |
| η | [0.0004696; 0.0034447] | Pa×s | [325.48; 497.13] |
|
| η | 0.0034447 | Pa×s | 325.48 | Joback Calculated Property |
| η | 0.0021610 | Pa×s | 354.09 | Joback Calculated Property |
| η | 0.0014535 | Pa×s | 382.70 | Joback Calculated Property |
| η | 0.0010331 | Pa×s | 411.31 | Joback Calculated Property |
| η | 0.0007677 | Pa×s | 439.91 | Joback Calculated Property |
| η | 0.0005915 | Pa×s | 468.52 | Joback Calculated Property |
| η | 0.0004696 | Pa×s | 497.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propanone, 1-bromo-1,1,3-trichloro-.
Sources
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