- InChI
- InChI=1S/C16H32Br2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18/h1-16H2
- InChI Key
- OTFBUFWEFKVFFR-UHFFFAOYSA-N
- Formula
- C16H32Br2
- SMILES
- BrCCCCCCCCCCCCCCCCBr
- Molecular Weight1
- 384.23
- CAS
- 45223-18-5
- Other Names
-
- Hexadecane, 1,16-dibromo-
- 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).
- 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 | 0.9341 | Relay (1.0) Calculated Property | |
| ΔfG° | 112.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -362.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.238 | Crippen Calculated Property | |
| McVol | 271.300 | ml/mol | McGowan Calculated Property |
| Pc | 1461.25 | kPa | Joback Calculated Property |
| Tboil | 599.56 | K | Relay (1.0) Calculated Property |
| Tc | 784.36 | K | Relay (1.0) Calculated Property |
| Tfus | 326.08 | K | Relay (1.0) Calculated Property |
| Vc | 1.051 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [372.88; 862.93] | 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 | 4.72600e+00 | |||
| Coefficient B | 1.60020e+00 | |||
| Coefficient C | -9.89400e-04 | |||
| Coefficient D | 2.47400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 372.88 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 457.96 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 533.57 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 600.47 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 659.45 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 711.29 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 756.78 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 796.69 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 831.81 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 862.93 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0016844; 0.0001776] | Pa×s | [389.68; 615.95] |
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 | -1.25107e+01 | |||
| Coefficient B | 2.38656e+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. | 389.68 | |||
| Temperature range, max. | 615.95 | |||
| η | 0.0016844 | Pa×s | 389.68 | Calculated Property |
| η | 0.0011621 | Pa×s | 414.82 | Calculated Property |
| η | 0.0008365 | Pa×s | 439.96 | Calculated Property |
| η | 0.0006239 | Pa×s | 465.10 | Calculated Property |
| η | 0.0004796 | Pa×s | 490.25 | Calculated Property |
| η | 0.0003782 | Pa×s | 515.39 | Calculated Property |
| η | 0.0003049 | Pa×s | 540.53 | Calculated Property |
| η | 0.0002506 | Pa×s | 565.67 | Calculated Property |
| η | 0.0002094 | Pa×s | 590.81 | Calculated Property |
| η | 0.0001776 | Pa×s | 615.95 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [504.92; 661.12] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.75772e+01 | |||
| Coefficient B | -6.59355e+03 | |||
| Coefficient C | -1.23560e+02 | |||
| Temperature range, min. | 504.92 | |||
| Temperature range, max. | 661.12 | |||
| Pvap | 1.33 | kPa | 504.92 | Calculated Property |
| Pvap | 2.83 | kPa | 522.28 | Calculated Property |
| Pvap | 5.64 | kPa | 539.63 | Calculated Property |
| Pvap | 10.64 | kPa | 556.99 | Calculated Property |
| Pvap | 19.11 | kPa | 574.34 | Calculated Property |
| Pvap | 32.87 | kPa | 591.70 | Calculated Property |
| Pvap | 54.38 | kPa | 609.05 | Calculated Property |
| Pvap | 86.90 | kPa | 626.41 | Calculated Property |
| Pvap | 134.59 | kPa | 643.76 | Calculated Property |
| Pvap | 202.64 | kPa | 661.12 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,16-Dibromohexadecane.
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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