- InChI
- InChI=1S/C7H11Br/c1-6-2-4-7(8)5-3-6/h4,6H,2-3,5H2,1H3
- InChI Key
- LIUFYLLBQSSKQS-UHFFFAOYSA-N
- Formula
- C7H11Br
- SMILES
- CC1CC=C(Br)CC1
- Molecular Weight1
- 175.07
- Cp,gas : Ideal gas 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).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 7.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.21 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.085 | Crippen Calculated Property | |
| McVol | 111.830 | ml/mol | McGowan Calculated Property |
| Inp | [1036.00; 1040.00] |
|
|
| Inp | 1036.00 | NIST | |
| Inp | 1036.00 | NIST | |
| Inp | 1040.00 | NIST | |
| Inp | 1036.00 | NIST | |
| Ip | [1361.00; 1361.00] |
|
|
| Ip | 1361.00 | NIST | |
| Ip | 1361.00 | NIST | |
| Tboil | 441.43 | K | Relay (1.0) Calculated Property |
| Tfus | 176.09 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [125.92; 340.27] | 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 | -3.88100e+01 | |||
| Coefficient B | 7.13620e-01 | |||
| Coefficient C | -4.29640e-04 | |||
| Coefficient D | 9.51000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 125.92 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 164.09 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 197.97 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 227.86 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 254.06 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 276.87 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 296.60 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 313.54 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 328.00 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 340.27 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0030799; 0.0002955] | Pa×s | [249.11; 473.71] |
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 | -1.07268e+01 | |||
| Coefficient B | 1.23159e+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. | 249.11 | |||
| Temperature range, max. | 473.71 | |||
| η | 0.0030799 | Pa×s | 249.11 | Calculated Property |
| η | 0.0019635 | Pa×s | 274.07 | Calculated Property |
| η | 0.0013494 | Pa×s | 299.02 | Calculated Property |
| η | 0.0009826 | Pa×s | 323.98 | Calculated Property |
| η | 0.0007487 | Pa×s | 348.93 | Calculated Property |
| η | 0.0005915 | Pa×s | 373.89 | Calculated Property |
| η | 0.0004814 | Pa×s | 398.84 | Calculated Property |
| η | 0.0004013 | Pa×s | 423.80 | Calculated Property |
| η | 0.0003414 | Pa×s | 448.75 | Calculated Property |
| η | 0.0002955 | Pa×s | 473.71 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexene, 1-bromo-4-methyl.
Sources
- 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
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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