- InChI
- InChI=1S/C12H25BrO/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h14H,1-12H2
- InChI Key
- ASIDMJNTHJYVQJ-UHFFFAOYSA-N
- Formula
- C12H25BrO
- SMILES
- OCCCCCCCCCCCCBr
- Molecular Weight1
- 265.23
- CAS
- 3344-77-2
- 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 | 0.9329 | Relay (1.0) Calculated Property | |
| ΔfG° | -72.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -447.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.275 | Crippen Calculated Property | |
| McVol | 203.310 | ml/mol | McGowan Calculated Property |
| Pc | 2049.31 | kPa | Joback Calculated Property |
| Tboil | 587.87 | K | Relay (1.0) Calculated Property |
| Tc | 776.35 | K | Relay (1.0) Calculated Property |
| Tfus | 307.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.770 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 428.20 | K | 0.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [286.54; 666.16] | 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 | 5.46200e+00 | |||
| Coefficient B | 1.21600e+00 | |||
| Coefficient C | -7.30800e-04 | |||
| Coefficient D | 1.75500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 286.54 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 351.96 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 410.28 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 462.05 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 507.82 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 548.15 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 583.60 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 614.71 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 642.05 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 666.16 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0204608; 0.0001272] | Pa×s | [307.15; 561.52] |
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 | -1.51044e+01 | |||
| Coefficient B | 3.44473e+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. | 307.15 | |||
| Temperature range, max. | 561.52 | |||
| η | 0.0204608 | Pa×s | 307.15 | Calculated Property |
| η | 0.0079524 | Pa×s | 335.41 | Calculated Property |
| η | 0.0035798 | Pa×s | 363.68 | Calculated Property |
| η | 0.0018081 | Pa×s | 391.94 | Calculated Property |
| η | 0.0010011 | Pa×s | 420.20 | Calculated Property |
| η | 0.0005972 | Pa×s | 448.47 | Calculated Property |
| η | 0.0003787 | Pa×s | 476.73 | Calculated Property |
| η | 0.0002528 | Pa×s | 505.00 | Calculated Property |
| η | 0.0001761 | Pa×s | 533.26 | Calculated Property |
| η | 0.0001272 | Pa×s | 561.52 | Calculated Property |
Similar Compounds
Find more compounds similar to 12-Bromo-1-dodecanol.
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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