- 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-
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 112.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -320.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.08 | kJ/mol | Joback Calculated Property |
| log10WS | -7.38 | Crippen 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 | 697.80 | K | Joback Calculated Property |
| Tc | 879.68 | K | Joback Calculated Property |
| Tfus | 389.68 | K | Joback Calculated Property |
| Vc | 1.056 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [723.64; 815.17] | J/mol×K | [697.80; 879.68] | 
|
| Cp,gas | 723.64 | J/mol×K | 697.80 | Joback Calculated Property |
| Cp,gas | 740.82 | J/mol×K | 728.11 | Joback Calculated Property |
| Cp,gas | 757.18 | J/mol×K | 758.43 | Joback Calculated Property |
| Cp,gas | 772.75 | J/mol×K | 788.74 | Joback Calculated Property |
| Cp,gas | 787.57 | J/mol×K | 819.05 | Joback Calculated Property |
| Cp,gas | 801.70 | J/mol×K | 849.37 | Joback Calculated Property |
| Cp,gas | 815.17 | J/mol×K | 879.68 | Joback Calculated Property |
| η | [0.0001127; 0.0016844] | Pa×s | [389.68; 697.80] |
|
| η | 0.0016844 | Pa×s | 389.68 | Joback Calculated Property |
| η | 0.0008256 | Pa×s | 441.03 | Joback Calculated Property |
| η | 0.0004695 | Pa×s | 492.39 | Joback Calculated Property |
| η | 0.0002971 | Pa×s | 543.74 | Joback Calculated Property |
| η | 0.0002034 | Pa×s | 595.09 | Joback Calculated Property |
| η | 0.0001479 | Pa×s | 646.45 | Joback Calculated Property |
| η | 0.0001127 | Pa×s | 697.80 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [504.92; 661.12] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| 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
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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