- InChI
- InChI=1S/C6H12Br2/c1-2-3-4-6(8)5-7/h6H,2-5H2,1H3
- InChI Key
- NUUUANNAZVEWHM-UHFFFAOYSA-N
- Formula
- C6H12Br2
- SMILES
- CCCCC(Br)CBr
- Molecular Weight1
- 243.97
- CAS
- 624-20-4
- Other Names
-
- 1,2-Dibromohexane
- 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).
- Pvap : Vapor 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 | 0.5148 | Relay (1.0) Calculated Property | |
| ΔfG° | 25.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -135.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.50 ± 2.00 | kJ/mol | NIST |
| IE | 10.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.335 | Crippen Calculated Property | |
| McVol | 130.400 | ml/mol | McGowan Calculated Property |
| Pc | 3682.02 | kPa | Joback Calculated Property |
| Inp | [1129.00; 1135.00] |
|
|
| Inp | 1129.00 | NIST | |
| Inp | 1135.00 | NIST | |
| Inp | 1129.00 | NIST | |
| Inp | 1135.00 | NIST | |
| Tboil | 360.15 ± 0.50 | K | NIST |
| Tc | 673.61 | K | Relay (1.0) Calculated Property |
| Tfus | 218.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.469 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [160.42; 347.55] | 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 | 1.21340e+01 | |||
| Coefficient B | 6.56120e-01 | |||
| Coefficient C | -4.48600e-04 | |||
| Coefficient D | 1.27900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 160.42 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 193.77 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 223.04 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 248.62 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 270.94 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 290.38 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 307.36 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 322.28 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 335.54 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 347.55 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0043004; 0.0003454] | Pa×s | [261.98; 472.51] |
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 | -1.11090e+01 | |||
| Coefficient B | 1.48278e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 261.98 | |||
| Temperature range, max. | 472.51 | |||
| η | 0.0043004 | Pa×s | 261.98 | Calculated Property |
| η | 0.0027041 | Pa×s | 285.37 | Calculated Property |
| η | 0.0018241 | Pa×s | 308.76 | Calculated Property |
| η | 0.0013007 | Pa×s | 332.16 | Calculated Property |
| η | 0.0009697 | Pa×s | 355.55 | Calculated Property |
| η | 0.0007496 | Pa×s | 378.94 | Calculated Property |
| η | 0.0005971 | Pa×s | 402.33 | Calculated Property |
| η | 0.0004876 | Pa×s | 425.72 | Calculated Property |
| η | 0.0004067 | Pa×s | 449.12 | Calculated Property |
| η | 0.0003454 | Pa×s | 472.51 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [360.92; 509.50] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.50293e+01 | |||
| Coefficient B | -4.23677e+03 | |||
| Coefficient C | -7.35200e+01 | |||
| Temperature range, min. | 360.92 | |||
| Temperature range, max. | 509.50 | |||
| Pvap | 1.33 | kPa | 360.92 | Calculated Property |
| Pvap | 2.97 | kPa | 377.43 | Calculated Property |
| Pvap | 6.09 | kPa | 393.94 | Calculated Property |
| Pvap | 11.64 | kPa | 410.45 | Calculated Property |
| Pvap | 20.95 | kPa | 426.96 | Calculated Property |
| Pvap | 35.76 | kPa | 443.46 | Calculated Property |
| Pvap | 58.33 | kPa | 459.97 | Calculated Property |
| Pvap | 91.40 | kPa | 476.48 | Calculated Property |
| Pvap | 138.24 | kPa | 492.99 | Calculated Property |
| Pvap | 202.65 | kPa | 509.50 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexane, 1,2-dibromo-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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