- InChI
- InChI=1S/C6H12Br2/c1-3-4-6(8)5(2)7/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1
- InChI Key
- CHNCACSQVNDLSU-RITPCOANSA-N
- Formula
- C6H12Br2
- SMILES
- CCCC(Br)C(C)Br
- Molecular Weight1
- 243.97
- 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 | 0.4394 | Relay (1.0) Calculated Property | |
| ΔfG° | 23.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -131.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.333 | Crippen Calculated Property | |
| McVol | 130.400 | ml/mol | McGowan Calculated Property |
| Pc | 3718.02 | kPa | Joback Calculated Property |
| Inp | [1095.00; 1095.00] |
|
|
| Inp | 1095.00 | NIST | |
| Inp | 1095.00 | NIST | |
| Tboil | 456.41 | K | Relay (1.0) Calculated Property |
| Tc | 663.07 | K | Relay (1.0) Calculated Property |
| Tfus | 249.25 | K | Relay (1.0) Calculated Property |
| Vc | 0.465 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [160.11; 348.09] | 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 | 1.04520e+01 | |||
| Coefficient B | 6.62040e-01 | |||
| Coefficient C | -4.51800e-04 | |||
| Coefficient D | 1.27400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 160.11 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 193.76 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 223.28 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 249.07 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 271.54 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 291.09 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 308.11 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 323.02 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 336.21 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 348.09 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0061816; 0.0003205] | Pa×s | [246.98; 475.60] |
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 | -1.12430e+01 | |||
| Coefficient B | 1.52060e+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. | 246.98 | |||
| Temperature range, max. | 475.60 | |||
| η | 0.0061816 | Pa×s | 246.98 | Calculated Property |
| η | 0.0034813 | Pa×s | 272.38 | Calculated Property |
| η | 0.0021623 | Pa×s | 297.78 | Calculated Property |
| η | 0.0014475 | Pa×s | 323.19 | Calculated Property |
| η | 0.0010273 | Pa×s | 348.59 | Calculated Property |
| η | 0.0007639 | Pa×s | 373.99 | Calculated Property |
| η | 0.0005898 | Pa×s | 399.39 | Calculated Property |
| η | 0.0004697 | Pa×s | 424.80 | Calculated Property |
| η | 0.0003838 | Pa×s | 450.20 | Calculated Property |
| η | 0.0003205 | Pa×s | 475.60 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexane, 2,3-dibromo-, erythro.
Sources
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