- InChI
- InChI=1S/C9H19Br/c1-8(5-6-10)7-9(2,3)4/h8H,5-7H2,1-4H3
- InChI Key
- JUHBYLSCAJAHEH-UHFFFAOYSA-N
- Formula
- C9H19Br
- SMILES
- CC(CCBr)CC(C)(C)C
- Molecular Weight1
- 207.15
- CAS
- 50915-80-5
- 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).
- 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 | 0.4494 | Relay (1.0) Calculated Property | |
| ΔfG° | 39.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -245.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.844 | Crippen Calculated Property | |
| McVol | 155.170 | ml/mol | McGowan Calculated Property |
| Pc | 2535.37 | kPa | Joback Calculated Property |
| Tboil | 465.70 | K | Relay (1.0) Calculated Property |
| Tc | 646.26 | K | Relay (1.0) Calculated Property |
| Tfus | 199.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.543 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [208.62; 494.72] | 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 | -2.32570e+01 | |||
| Coefficient B | 1.02878e+00 | |||
| Coefficient C | -7.12200e-04 | |||
| Coefficient D | 2.01400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 208.62 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 260.48 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 305.84 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 345.33 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 379.59 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 409.26 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 434.97 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 457.36 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 477.06 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 494.72 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0094024; 0.0002810] | Pa×s | [238.41; 464.09] |
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 | -1.18855e+01 | |||
| Coefficient B | 1.72102e+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. | 238.41 | |||
| Temperature range, max. | 464.09 | |||
| η | 0.0094024 | Pa×s | 238.41 | Calculated Property |
| η | 0.0047302 | Pa×s | 263.49 | Calculated Property |
| η | 0.0026815 | Pa×s | 288.56 | Calculated Property |
| η | 0.0016645 | Pa×s | 313.64 | Calculated Property |
| η | 0.0011088 | Pa×s | 338.71 | Calculated Property |
| η | 0.0007812 | Pa×s | 363.79 | Calculated Property |
| η | 0.0005758 | Pa×s | 388.86 | Calculated Property |
| η | 0.0004404 | Pa×s | 413.94 | Calculated Property |
| η | 0.0003473 | Pa×s | 439.01 | Calculated Property |
| η | 0.0002810 | Pa×s | 464.09 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Bromo-3,5,5-trimethylhexane.
Sources
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