- InChI
- InChI=1S/C8H15Br/c9-7-6-8-4-2-1-3-5-8/h8H,1-7H2
- InChI Key
- JRQAAYVLPPGEHT-UHFFFAOYSA-N
- Formula
- C8H15Br
- SMILES
- BrCCC1CCCCC1
- Molecular Weight1
- 191.11
- CAS
- 1647-26-3
- Other Names
-
- (2-Bromoethyl)cyclohexane
- 2-Bromo ethylcyclohexane
- 2-Cyclohexylethyl bromide
- 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).
- 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).
- Pvap : Vapor 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 | 0.3834 | Relay (1.0) Calculated Property | |
| ΔfG° | 55.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -144.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.352 | Crippen Calculated Property | |
| McVol | 130.220 | ml/mol | McGowan Calculated Property |
| Pc | 3411.87 | kPa | Joback Calculated Property |
| Tboil | 477.08 | K | Relay (1.0) Calculated Property |
| Tc | 694.92 | K | Relay (1.0) Calculated Property |
| Tfus | 216.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.446 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 54.20 | kJ/mol | 398.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [151.06; 426.20] | 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 | -6.17980e+01 | |||
| Coefficient B | 9.24100e-01 | |||
| Coefficient C | -5.63800e-04 | |||
| Coefficient D | 1.27700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 151.06 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 200.22 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 243.79 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 282.17 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 315.77 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 345.00 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 370.25 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 391.93 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 410.45 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 426.20 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0134269; 0.0003137] | Pa×s | [216.15; 481.77] |
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 | -1.11241e+01 | |||
| Coefficient B | 1.47277e+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. | 216.15 | |||
| Temperature range, max. | 481.77 | |||
| η | 0.0134269 | Pa×s | 216.15 | Calculated Property |
| η | 0.0059221 | Pa×s | 245.66 | Calculated Property |
| η | 0.0031133 | Pa×s | 275.18 | Calculated Property |
| η | 0.0018539 | Pa×s | 304.69 | Calculated Property |
| η | 0.0012097 | Pa×s | 334.20 | Calculated Property |
| η | 0.0008460 | Pa×s | 363.72 | Calculated Property |
| η | 0.0006243 | Pa×s | 393.23 | Calculated Property |
| η | 0.0004807 | Pa×s | 422.75 | Calculated Property |
| η | 0.0003829 | Pa×s | 452.26 | Calculated Property |
| η | 0.0003137 | Pa×s | 481.77 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [354.19; 539.53] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.26376e+01 | |||
| Coefficient B | -3.33799e+03 | |||
| Coefficient C | -8.39030e+01 | |||
| Temperature range, min. | 354.19 | |||
| Temperature range, max. | 539.53 | |||
| Pvap | 1.33 | kPa | 354.19 | Calculated Property |
| Pvap | 3.20 | kPa | 374.78 | Calculated Property |
| Pvap | 6.83 | kPa | 395.38 | Calculated Property |
| Pvap | 13.27 | kPa | 415.97 | Calculated Property |
| Pvap | 23.87 | kPa | 436.56 | Calculated Property |
| Pvap | 40.23 | kPa | 457.16 | Calculated Property |
| Pvap | 64.21 | kPa | 477.75 | Calculated Property |
| Pvap | 97.84 | kPa | 498.34 | Calculated Property |
| Pvap | 143.26 | kPa | 518.94 | Calculated Property |
| Pvap | 202.64 | kPa | 539.53 | Calculated Property |
| Pvap | [0.13; 101.56] | kPa | [311.90; 486.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.41326e+01 | |||
| Coefficient B | -4.02695e+03 | |||
| Coefficient C | -6.26450e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 311.90 | |||
| Temperature range, max. | 486.00 | |||
| Pvap | 0.13 | kPa | 311.90 | Calculated Property |
| Pvap | 0.42 | kPa | 331.24 | Calculated Property |
| Pvap | 1.16 | kPa | 350.59 | Calculated Property |
| Pvap | 2.79 | kPa | 369.93 | Calculated Property |
| Pvap | 6.07 | kPa | 389.28 | Calculated Property |
| Pvap | 12.10 | kPa | 408.62 | Calculated Property |
| Pvap | 22.41 | kPa | 427.97 | Calculated Property |
| Pvap | 39.01 | kPa | 447.31 | Calculated Property |
| Pvap | 64.40 | kPa | 466.66 | Calculated Property |
| Pvap | 101.56 | kPa | 486.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexane, (2-bromoethyl)-.
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).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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