- InChI
- InChI=1S/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H2
- InChI Key
- AQNQQHJNRPDOQV-UHFFFAOYSA-N
- Formula
- C6H11Br
- SMILES
- BrC1CCCCC1
- Molecular Weight1
- 163.06
- CAS
- 108-85-0
- Other Names
-
- 1-Bromocyclohexane
- Bromocyclohexane
- Cyclohexyl bromide
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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 | 0.2806 | Relay (1.0) Calculated Property | |
| ΔfG° | 38.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -67.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [9.85; 10.00] | eV |
|
| IE | 9.87 ± 0.02 | eV | NIST |
| IE | 9.85 ± 0.01 | eV | NIST |
| IE | 9.90 ± 0.02 | eV | NIST |
| IE | 9.88 | eV | NIST |
| IE | 10.00 | eV | NIST |
| log10WS | -2.30 | Aq. Solubility Prediction | |
| logPoct/wat | 2.714 | Crippen Calculated Property | |
| McVol | 102.040 | ml/mol | McGowan Calculated Property |
| Pc | 4328.25 | kPa | Joback Calculated Property |
| Inp | [969.00; 1023.00] |
|
|
| Inp | 1009.00 | NIST | |
| Inp | 1009.00 | NIST | |
| Inp | 1023.00 | NIST | |
| Inp | 984.00 | NIST | |
| Inp | 969.00 | NIST | |
| Inp | 969.00 | NIST | |
| Inp | 1023.00 | NIST | |
| Inp | 969.00 | NIST | |
| Inp | 969.00 | NIST | |
| Inp | 975.00 | NIST | |
| Inp | 1009.00 | NIST | |
| Inp | 1023.00 | NIST | |
| I | [1288.00; 1303.00] |
|
|
| I | 1288.00 | NIST | |
| I | 1303.00 | NIST | |
| I | 1303.00 | NIST | |
| I | 1288.00 | NIST | |
| I | 1303.00 | NIST | |
| Tboil | [436.00; 439.50] | K |
|
| Tboil | 439.50 ± 0.50 | K | NIST |
| Tboil | 439.40 | K | NIST |
| Tboil | 438.00 | K | NIST |
| Tboil | 437.00 ± 1.00 | K | NIST |
| Tboil | 436.00 ± 4.00 | K | NIST |
| Tc | 656.17 | K | Relay (1.0) Calculated Property |
| Tfus | [206.00; 216.40] | K |
|
| Tfus | 216.40 | K | Aq. Solubility Prediction |
| Tfus | 206.00 ± 6.00 | K | NIST |
| Ttriple | 216.87 ± 0.05 | K | NIST |
| Vc | 0.360 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [176.75; 253.12] | J/mol×K | [422.39; 648.68] |
|
| Cp,gas | 176.75 | J/mol×K | 422.39 | Joback Calculated Property |
| Cp,gas | 191.58 | J/mol×K | 460.10 | Joback Calculated Property |
| Cp,gas | 205.53 | J/mol×K | 497.82 | Joback Calculated Property |
| Cp,gas | 218.62 | J/mol×K | 535.53 | Joback Calculated Property |
| Cp,gas | 230.89 | J/mol×K | 573.25 | Joback Calculated Property |
| Cp,gas | 242.38 | J/mol×K | 610.96 | Joback Calculated Property |
| Cp,gas | 253.12 | J/mol×K | 648.68 | Joback Calculated Property |
| Cp,liquid | 182.10 | J/mol×K | 298.15 | NIST |
| η | [0.0003921; 0.0057128] | Pa×s | [224.56; 422.39] |
|
| η | 0.0057128 | Pa×s | 224.56 | Joback Calculated Property |
| η | 0.0027467 | Pa×s | 257.53 | Joback Calculated Property |
| η | 0.0015594 | Pa×s | 290.50 | Joback Calculated Property |
| η | 0.0009937 | Pa×s | 323.48 | Joback Calculated Property |
| η | 0.0006882 | Pa×s | 356.45 | Joback Calculated Property |
| η | 0.0005072 | Pa×s | 389.42 | Joback Calculated Property |
| η | 0.0003921 | Pa×s | 422.39 | Joback Calculated Property |
| ΔfusH | [10.79; 10.79] | kJ/mol | [216.90; 216.90] |
|
| ΔfusH | 10.79 | kJ/mol | 216.90 | NIST |
| ΔfusH | 10.79 | kJ/mol | 216.90 | NIST |
| ΔvapH | 42.80 | kJ/mol | 393.00 | NIST |
| ρl | 1328.41 | kg/m3 | 298.15 | Study of the Surface Tension of Chlorocyclohexane or Bromocyclohexane with Some Cyclic Ethers |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 345.00 | K | 4.30 | NIST |
Similar Compounds
Find more compounds similar to Cyclohexane, bromo-.
Mixtures
- Tetrahydropyran + Cyclohexane, bromo-
- Cyclohexane, bromo- + Tetrahydrofuran
- Cyclohexane, bromo- + Furan, tetrahydro-2-methyl-
- Furan, tetrahydro-2,5-dimethyl- + Cyclohexane, bromo-
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Study of the Surface Tension of Chlorocyclohexane or Bromocyclohexane with Some Cyclic Ethers
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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