- 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
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- Pvap : Vapor pressure (kPa).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- γ : Surface Tension (N/m).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -67.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.24 | 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 |
| 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 | |
| Ip | [1288.00; 1303.00] |
|
|
| Ip | 1288.00 | NIST | |
| Ip | 1288.00 | NIST | |
| Ip | 1303.00 | NIST | |
| Ip | 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 |
| Tfus | [206.00; 216.40] | K |
|
| Tfus | 216.40 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 216.40 | K | Aq. Solubility Prediction |
| Tfus | 206.00 ± 6.00 | K | NIST |
| Ttriple | 216.87 ± 0.05 | K | NIST |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 345.00 | K | 4.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [108.63; 323.02] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -5.99800e+01 | |||
| Coefficient B | 7.34100e-01 | |||
| Coefficient C | -4.55000e-04 | |||
| Coefficient D | 1.03900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 108.63 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 147.38 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 181.63 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 211.71 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 237.95 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 260.68 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 280.22 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 296.90 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 311.06 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 323.02 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0078071; 0.0003167] | Pa×s | [212.93; 454.29] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.08849e+01 | |||
| Coefficient B | 1.28445e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 212.93 | |||
| Temperature range, max. | 454.29 | |||
| η | 0.0078071 | Pa×s | 212.93 | Calculated Property |
| η | 0.0039761 | Pa×s | 239.75 | Calculated Property |
| η | 0.0023195 | Pa×s | 266.57 | Calculated Property |
| η | 0.0014932 | Pa×s | 293.38 | Calculated Property |
| η | 0.0010348 | Pa×s | 320.20 | Calculated Property |
| η | 0.0007590 | Pa×s | 347.02 | Calculated Property |
| η | 0.0005820 | Pa×s | 373.84 | Calculated Property |
| η | 0.0004624 | Pa×s | 400.65 | Calculated Property |
| η | 0.0003782 | Pa×s | 427.47 | Calculated Property |
| η | 0.0003167 | Pa×s | 454.29 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| γ | [0.04; 0.02] | N/m | [216.40; 438.95] |
Jasper (1972), surface tension of pure liquid compounds Compiled value
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is γ in N/m, T in K | |||
| Coefficient A | 6.66409e-02 | |||
| Coefficient B | -1.11700e-04 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 216.40 | |||
| Temperature range, max. | 438.95 | |||
| γ | 0.04 | N/m | 216.40 | Calculated Property |
| γ | 0.04 | N/m | 241.13 | Calculated Property |
| γ | 0.04 | N/m | 265.86 | Calculated Property |
| γ | 0.03 | N/m | 290.58 | Calculated Property |
| γ | 0.03 | N/m | 315.31 | Calculated Property |
| γ | 0.03 | N/m | 340.04 | Calculated Property |
| γ | 0.03 | N/m | 364.77 | Calculated Property |
| γ | 0.02 | N/m | 389.49 | Calculated Property |
| γ | 0.02 | N/m | 414.22 | Calculated Property |
| γ | 0.02 | N/m | 438.95 | Calculated Property |
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
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Jasper (1972), surface tension of pure liquid compounds ChEDL chemicals 1.5.2, from Jasper, J. J. The Surface Tension of Pure Liquid Compounds. J. Phys. Chem. Ref. Data 1972, 1, 841-1010 (as transcribed in Lange's Handbook).
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Six-membered ring aliphatic compounds: A search for regularities in phase transitions
- 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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