- InChI
- InChI=1S/C11H22Br2/c12-10-8-6-4-2-1-3-5-7-9-11-13/h1-11H2
- InChI Key
- SIBVHGAPHVRHMJ-UHFFFAOYSA-N
- Formula
- C11H22Br2
- SMILES
- BrCCCCCCCCCCCBr
- Molecular Weight1
- 314.10
- CAS
- 16696-65-4
- Other Names
-
- Undecamethylene dibromide
- Undecane, 1,11-dibromo-
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- 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 | 0.7585 | Relay (1.0) Calculated Property | |
| ΔfG° | 70.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -252.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.287 | Crippen Calculated Property | |
| McVol | 200.850 | ml/mol | McGowan Calculated Property |
| Pc | 2191.78 | kPa | Joback Calculated Property |
| Tboil | 568.96 | K | Relay (1.0) Calculated Property |
| Tc | 747.06 | K | Relay (1.0) Calculated Property |
| Tfus | 439.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.765 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 464.20 | K | 2.40 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [266.81; 604.97] | 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 | 9.27100e+00 | |||
| Coefficient B | 1.12520e+00 | |||
| Coefficient C | -7.17400e-04 | |||
| Coefficient D | 1.87900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 266.81 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 325.87 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 378.18 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 424.32 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 464.89 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 500.48 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 531.69 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 559.12 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 583.34 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 604.97 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0006395; 0.0002815] | Pa×s | [439.15; 540.87] |
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 | -1.17173e+01 | |||
| Coefficient B | 1.91576e+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. | 439.15 | |||
| Temperature range, max. | 540.87 | |||
| η | 0.0006395 | Pa×s | 439.15 | Calculated Property |
| η | 0.0005732 | Pa×s | 450.45 | Calculated Property |
| η | 0.0005165 | Pa×s | 461.75 | Calculated Property |
| η | 0.0004678 | Pa×s | 473.06 | Calculated Property |
| η | 0.0004256 | Pa×s | 484.36 | Calculated Property |
| η | 0.0003889 | Pa×s | 495.66 | Calculated Property |
| η | 0.0003568 | Pa×s | 506.96 | Calculated Property |
| η | 0.0003286 | Pa×s | 518.27 | Calculated Property |
| η | 0.0003036 | Pa×s | 529.57 | Calculated Property |
| η | 0.0002815 | Pa×s | 540.87 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [442.52; 589.90] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.69232e+01 | |||
| Coefficient B | -5.66681e+03 | |||
| Coefficient C | -1.01876e+02 | |||
| Temperature range, min. | 442.52 | |||
| Temperature range, max. | 589.90 | |||
| Pvap | 1.33 | kPa | 442.52 | Calculated Property |
| Pvap | 2.86 | kPa | 458.90 | Calculated Property |
| Pvap | 5.74 | kPa | 475.27 | Calculated Property |
| Pvap | 10.85 | kPa | 491.65 | Calculated Property |
| Pvap | 19.50 | kPa | 508.02 | Calculated Property |
| Pvap | 33.49 | kPa | 524.40 | Calculated Property |
| Pvap | 55.24 | kPa | 540.77 | Calculated Property |
| Pvap | 87.89 | kPa | 557.15 | Calculated Property |
| Pvap | 135.40 | kPa | 573.52 | Calculated Property |
| Pvap | 202.64 | kPa | 589.90 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,11-Dibromoundecane.
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
- Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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