- InChI
- InChI=1S/C12H22BrClO2/c13-9-7-8-12(15)16-11-6-4-2-1-3-5-10-14/h1-11H2
- InChI Key
- NZSCQBROFMTNGG-UHFFFAOYSA-N
- Formula
- C12H22BrClO2
- SMILES
- O=C(CCCBr)OCCCCCCCCCl
- Molecular Weight1
- 313.66
- 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).
- 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 |
|---|---|---|---|
| ω | 0.8324 | Relay (1.0) Calculated Property | |
| ΔfG° | -181.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -616.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.284 | Crippen Calculated Property | |
| McVol | 217.120 | ml/mol | McGowan Calculated Property |
| Pc | 1903.58 | kPa | Joback Calculated Property |
| Inp | 2147.00 | NIST | |
| Tboil | 582.53 | K | Relay (1.0) Calculated Property |
| Tc | 771.28 | K | Relay (1.0) Calculated Property |
| Tfus | 285.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.796 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [541.86; 616.53] | J/mol×K | [653.84; 839.99] | 
|
| Cp,gas | 541.86 | J/mol×K | 653.84 | Joback Calculated Property |
| Cp,gas | 555.99 | J/mol×K | 684.86 | Joback Calculated Property |
| Cp,gas | 569.42 | J/mol×K | 715.89 | Joback Calculated Property |
| Cp,gas | 582.17 | J/mol×K | 746.91 | Joback Calculated Property |
| Cp,gas | 594.25 | J/mol×K | 777.94 | Joback Calculated Property |
| Cp,gas | 605.70 | J/mol×K | 808.96 | Joback Calculated Property |
| Cp,gas | 616.53 | J/mol×K | 839.99 | Joback Calculated Property |
| η | [0.0001558; 0.0017005] | Pa×s | [386.88; 653.84] |
|
| η | 0.0017005 | Pa×s | 386.88 | Joback Calculated Property |
| η | 0.0009297 | Pa×s | 431.37 | Joback Calculated Property |
| η | 0.0005691 | Pa×s | 475.87 | Joback Calculated Property |
| η | 0.0003788 | Pa×s | 520.36 | Joback Calculated Property |
| η | 0.0002689 | Pa×s | 564.85 | Joback Calculated Property |
| η | 0.0002006 | Pa×s | 609.35 | Joback Calculated Property |
| η | 0.0001558 | Pa×s | 653.84 | Joback Calculated Property |
Similar Compounds
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Sources
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