- InChI
- InChI=1S/C11H23BrO/c12-10-8-6-4-2-1-3-5-7-9-11-13/h13H,1-11H2
- InChI Key
- XFGANBYCJWQYBI-UHFFFAOYSA-N
- Formula
- C11H23BrO
- SMILES
- OCCCCCCCCCCCBr
- Molecular Weight1
- 251.20
- CAS
- 1611-56-9
- Other Names
-
- 1-Bromo-11-hydroxyundecane
- 11-Bromo-1-hydroxyundecane
- 11-Bromo-1-undecanol
- 11-Bromoundecan-1-ol
- 11-Bromoundecanol
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.8974 | Relay (1.0) Calculated Property | |
| ΔfG° | -80.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -425.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.885 | Crippen Calculated Property | |
| McVol | 189.220 | ml/mol | McGowan Calculated Property |
| Pc | 2239.76 | kPa | Joback Calculated Property |
| Tboil | 579.81 | K | Relay (1.0) Calculated Property |
| Tc | 768.54 | K | Relay (1.0) Calculated Property |
| Tfus | 319.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.715 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 440.70 | K | 0.10 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [265.32; 614.57] | 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 | 6.37100e+00 | |||
| Coefficient B | 1.12100e+00 | |||
| Coefficient C | -6.76400e-04 | |||
| Coefficient D | 1.63600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 265.32 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 325.54 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 379.20 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 426.82 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 468.91 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 505.99 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 538.58 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 567.19 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 592.35 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 614.57 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0115473; 0.0001475] | Pa×s | [319.15; 545.86] |
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 | -1.49597e+01 | |||
| Coefficient B | 3.35057e+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. | 319.15 | |||
| Temperature range, max. | 545.86 | |||
| η | 0.0115473 | Pa×s | 319.15 | Calculated Property |
| η | 0.0053572 | Pa×s | 344.34 | Calculated Property |
| η | 0.0027598 | Pa×s | 369.53 | Calculated Property |
| η | 0.0015473 | Pa×s | 394.72 | Calculated Property |
| η | 0.0009299 | Pa×s | 419.91 | Calculated Property |
| η | 0.0005920 | Pa×s | 445.10 | Calculated Property |
| η | 0.0003955 | Pa×s | 470.29 | Calculated Property |
| η | 0.0002754 | Pa×s | 495.48 | Calculated Property |
| η | 0.0001985 | Pa×s | 520.67 | Calculated Property |
| η | 0.0001475 | Pa×s | 545.86 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Undecanol, 11-bromo-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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