- InChI
- InChI=1S/C7H14Br2/c1-5(2)4-7(9)6(3)8/h5-7H,4H2,1-3H3
- InChI Key
- RKFQBBTZZFOSGZ-UHFFFAOYSA-N
- Formula
- C7H14Br2
- SMILES
- CC(C)CC(Br)C(C)Br
- Molecular Weight1
- 257.99
- 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).
- 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 | 0.4491 | Relay (1.0) Calculated Property | |
| ΔfG° | 29.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -170.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.579 | Crippen Calculated Property | |
| McVol | 144.490 | ml/mol | McGowan Calculated Property |
| Pc | 3348.98 | kPa | Joback Calculated Property |
| Inp | [1129.00; 1129.00] |
|
|
| Inp | 1129.00 | NIST | |
| Inp | 1129.00 | NIST | |
| Tboil | 466.05 | K | Relay (1.0) Calculated Property |
| Tc | 672.23 | K | Relay (1.0) Calculated Property |
| Tfus | 275.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.505 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [181.01; 400.22] | 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 | 7.86100e+00 | |||
| Coefficient B | 7.62960e-01 | |||
| Coefficient C | -5.09400e-04 | |||
| Coefficient D | 1.38800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 181.01 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 220.17 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 254.61 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 284.75 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 311.06 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 333.95 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 353.88 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 371.27 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 386.57 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 400.22 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0088592; 0.0002844] | Pa×s | [243.25; 492.56] |
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 | -1.15201e+01 | |||
| Coefficient B | 1.65258e+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. | 243.25 | |||
| Temperature range, max. | 492.56 | |||
| η | 0.0088592 | Pa×s | 243.25 | Calculated Property |
| η | 0.0044232 | Pa×s | 270.95 | Calculated Property |
| η | 0.0025122 | Pa×s | 298.65 | Calculated Property |
| η | 0.0015706 | Pa×s | 326.35 | Calculated Property |
| η | 0.0010568 | Pa×s | 354.06 | Calculated Property |
| η | 0.0007532 | Pa×s | 381.76 | Calculated Property |
| η | 0.0005620 | Pa×s | 409.46 | Calculated Property |
| η | 0.0004352 | Pa×s | 437.16 | Calculated Property |
| η | 0.0003474 | Pa×s | 464.86 | Calculated Property |
| η | 0.0002844 | Pa×s | 492.56 | Calculated Property |
Similar Compounds
Find more compounds similar to 5-Methyl-2,3-dibromohexane.
Sources
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