- InChI
- InChI=1S/C8H17BrO/c9-7-5-3-1-2-4-6-8-10/h10H,1-8H2
- InChI Key
- GMXIEASXPUEOTG-UHFFFAOYSA-N
- Formula
- C8H17BrO
- SMILES
- OCCCCCCCCBr
- Molecular Weight1
- 209.13
- Other Names
-
- 1-Octanol, 8-bromo-
- 8-bromooctan-1-ol
- 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 | 0.7913 | Relay (1.0) Calculated Property | |
| ΔfG° | -106.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -359.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.714 | Crippen Calculated Property | |
| McVol | 146.950 | ml/mol | McGowan Calculated Property |
| Pc | 3002.44 | kPa | Joback Calculated Property |
| Tboil | 541.95 | K | Relay (1.0) Calculated Property |
| Tc | 743.59 | K | Relay (1.0) Calculated Property |
| Tfus | 281.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.545 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [201.68; 459.80] | 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 | 9.09800e+00 | |||
| Coefficient B | 8.36000e-01 | |||
| Coefficient C | -5.13200e-04 | |||
| Coefficient D | 1.27900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 201.68 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 246.29 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 285.97 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 321.13 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 352.17 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 379.51 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 403.53 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 424.65 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 443.27 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 459.80 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0130696; 0.0002226] | Pa×s | [300.54; 500.03] |
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 | -1.45461e+01 | |||
| Coefficient B | 3.06809e+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. | 300.54 | |||
| Temperature range, max. | 500.03 | |||
| η | 0.0130696 | Pa×s | 300.54 | Calculated Property |
| η | 0.0064823 | Pa×s | 322.71 | Calculated Property |
| η | 0.0035184 | Pa×s | 344.87 | Calculated Property |
| η | 0.0020560 | Pa×s | 367.04 | Calculated Property |
| η | 0.0012772 | Pa×s | 389.20 | Calculated Property |
| η | 0.0008352 | Pa×s | 411.37 | Calculated Property |
| η | 0.0005704 | Pa×s | 433.54 | Calculated Property |
| η | 0.0004043 | Pa×s | 455.70 | Calculated Property |
| η | 0.0002958 | Pa×s | 477.87 | Calculated Property |
| η | 0.0002226 | Pa×s | 500.03 | Calculated Property |
Similar Compounds
Find more compounds similar to 8-BROMO-1-OCTANOL.
Sources
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