- InChI
- InChI=1S/C8H17Br/c1-7(2)5-4-6-8(3)9/h7-8H,4-6H2,1-3H3
- InChI Key
- ZMWRLWROCBQAMW-UHFFFAOYSA-N
- Formula
- C8H17Br
- SMILES
- CC(C)CCCC(C)Br
- Molecular Weight1
- 193.13
- CAS
- ---
- 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).
- 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 | 0.4475 | Relay (1.0) Calculated Property | |
| ΔfG° | 25.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -225.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.596 | Crippen Calculated Property | |
| McVol | 141.080 | ml/mol | McGowan Calculated Property |
| Pc | 2767.17 | kPa | Joback Calculated Property |
| Tboil | 453.72 | K | Relay (1.0) Calculated Property |
| Tc | 642.32 | K | Relay (1.0) Calculated Property |
| Tfus | 208.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.520 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [188.55; 442.20] | 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 | 4.43000e-01 | |||
| Coefficient B | 8.13860e-01 | |||
| Coefficient C | -4.89200e-04 | |||
| Coefficient D | 1.17100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 188.55 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 232.33 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 271.34 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 305.96 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 336.56 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 363.51 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 387.18 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 407.94 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 426.16 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 442.20 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0103997; 0.0002848] | Pa×s | [209.72; 446.03] |
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 | -1.13566e+01 | |||
| Coefficient B | 1.42414e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 209.72 | |||
| Temperature range, max. | 446.03 | |||
| η | 0.0103997 | Pa×s | 209.72 | Calculated Property |
| η | 0.0048851 | Pa×s | 235.98 | Calculated Property |
| η | 0.0026696 | Pa×s | 262.23 | Calculated Property |
| η | 0.0016285 | Pa×s | 288.49 | Calculated Property |
| η | 0.0010788 | Pa×s | 314.75 | Calculated Property |
| η | 0.0007614 | Pa×s | 341.00 | Calculated Property |
| η | 0.0005649 | Pa×s | 367.26 | Calculated Property |
| η | 0.0004361 | Pa×s | 393.52 | Calculated Property |
| η | 0.0003478 | Pa×s | 419.77 | Calculated Property |
| η | 0.0002848 | Pa×s | 446.03 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [343.16; 495.29] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.44199e+01 | |||
| Coefficient B | -3.89786e+03 | |||
| Coefficient C | -6.73480e+01 | |||
| Temperature range, min. | 343.16 | |||
| Temperature range, max. | 495.29 | |||
| Pvap | 1.33 | kPa | 343.16 | Calculated Property |
| Pvap | 3.02 | kPa | 360.06 | Calculated Property |
| Pvap | 6.24 | kPa | 376.97 | Calculated Property |
| Pvap | 11.97 | kPa | 393.87 | Calculated Property |
| Pvap | 21.54 | kPa | 410.77 | Calculated Property |
| Pvap | 36.69 | kPa | 427.68 | Calculated Property |
| Pvap | 59.57 | kPa | 444.58 | Calculated Property |
| Pvap | 92.78 | kPa | 461.48 | Calculated Property |
| Pvap | 139.34 | kPa | 478.39 | Calculated Property |
| Pvap | 202.66 | kPa | 495.29 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Bromo-6-methylheptane.
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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