- InChI
- InChI=1S/C8H17Br/c1-3-5-6-7-8(9)4-2/h8H,3-7H2,1-2H3
- InChI Key
- OELHQHILWOIUSL-UHFFFAOYSA-N
- Formula
- C8H17Br
- SMILES
- CCCCCC(Br)CC
- Molecular Weight1
- 193.12
- CAS
- 999-64-4
- Other Names
-
- Octane, 3-bromo-
- 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 | 0.4649 | Relay (1.0) Calculated Property | |
| ΔfG° | 28.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -186.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.740 | Crippen Calculated Property | |
| McVol | 141.080 | ml/mol | McGowan Calculated Property |
| Pc | 2744.03 | kPa | Joback Calculated Property |
| Inp | [1053.00; 1053.00] |
|
|
| Inp | 1053.00 | NIST | |
| Inp | 1053.00 | NIST | |
| Tboil | 451.60 | K | Relay (1.0) Calculated Property |
| Tc | 649.33 | K | Relay (1.0) Calculated Property |
| Tfus | 192.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.530 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [188.86; 441.66] | 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 | 2.12500e+00 | |||
| Coefficient B | 8.07940e-01 | |||
| Coefficient C | -4.86000e-04 | |||
| Coefficient D | 1.17600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 188.86 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 232.34 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 271.09 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 305.51 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 335.96 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 362.81 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 386.43 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 407.20 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 425.49 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 441.66 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0063866; 0.0003047] | Pa×s | [224.72; 443.39] |
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 | -1.12226e+01 | |||
| Coefficient B | 1.38632e+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. | 224.72 | |||
| Temperature range, max. | 443.39 | |||
| η | 0.0063866 | Pa×s | 224.72 | Calculated Property |
| η | 0.0034983 | Pa×s | 249.02 | Calculated Property |
| η | 0.0021327 | Pa×s | 273.31 | Calculated Property |
| η | 0.0014095 | Pa×s | 297.61 | Calculated Property |
| η | 0.0009917 | Pa×s | 321.91 | Calculated Property |
| η | 0.0007330 | Pa×s | 346.21 | Calculated Property |
| η | 0.0005637 | Pa×s | 370.50 | Calculated Property |
| η | 0.0004478 | Pa×s | 394.80 | Calculated Property |
| η | 0.0003653 | Pa×s | 419.10 | Calculated Property |
| η | 0.0003047 | Pa×s | 443.39 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [349.32; 493.06] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.50922e+01 | |||
| Coefficient B | -4.14278e+03 | |||
| Coefficient C | -6.94890e+01 | |||
| Temperature range, min. | 349.32 | |||
| Temperature range, max. | 493.06 | |||
| Pvap | 1.33 | kPa | 349.32 | Calculated Property |
| Pvap | 2.97 | kPa | 365.29 | Calculated Property |
| Pvap | 6.08 | kPa | 381.26 | Calculated Property |
| Pvap | 11.61 | kPa | 397.23 | Calculated Property |
| Pvap | 20.89 | kPa | 413.20 | Calculated Property |
| Pvap | 35.67 | kPa | 429.18 | Calculated Property |
| Pvap | 58.21 | kPa | 445.15 | Calculated Property |
| Pvap | 91.27 | kPa | 461.12 | Calculated Property |
| Pvap | 138.15 | kPa | 477.09 | Calculated Property |
| Pvap | 202.67 | kPa | 493.06 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Bromooctane.
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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