- InChI
- InChI=1S/C16H33Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3
- InChI Key
- HNTGIJLWHDPAFN-UHFFFAOYSA-N
- Formula
- C16H33Br
- SMILES
- CCCCCCCCCCCCCCCCBr
- Molecular Weight1
- 305.34
- CAS
- 112-82-3
- Other Names
-
- 1-Hexadecyl bromide
- 1-bromohexadecane
- cetyl bromide
- hexadecyl bromide
- n-Hexadecyl-1-bromide
- n-hexadecyl bromide
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- 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 | 0.8293 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -10567.80 ± 1.70 | kJ/mol | NIST |
| ΔfG° | 98.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -350.10 ± 3.20 | kJ/mol | NIST |
| ΔfH°liquid | -444.50 ± 2.80 | kJ/mol | NIST |
| ΔfusH° | 42.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [94.40; 94.40] | kJ/mol |
|
| ΔvapH° | 94.40 | kJ/mol | NIST |
| ΔvapH° | 94.40 ± 1.50 | kJ/mol | NIST |
| ΔvapH° | 94.40 ± 1.50 | kJ/mol | NIST |
| ΔvapH° | 94.40 ± 1.50 | kJ/mol | NIST |
| IE | 9.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.863 | Crippen Calculated Property | |
| McVol | 253.800 | ml/mol | McGowan Calculated Property |
| Pc | 1387.11 | kPa | Joback Calculated Property |
| Inp | [1957.00; 1965.00] |
|
|
| Inp | 1965.00 | NIST | |
| Inp | 1957.00 | NIST | |
| Inp | 1957.00 | NIST | |
| Inp | 1965.00 | NIST | |
| Ip | [2220.00; 2258.00] |
|
|
| Ip | 2258.00 | NIST | |
| Ip | 2220.00 | NIST | |
| Ip | 2237.00 | NIST | |
| Ip | 2237.00 | NIST | |
| Ip | 2258.00 | NIST | |
| Tboil | [463.15; 609.20] | K |
|
| Tboil | 463.15 | K | KDB |
| Tboil | 609.20 | K | NIST |
| Tc | 755.41 | K | Relay (1.0) Calculated Property |
| Tfus | [287.35; 288.15] | K |
|
| Tfus | 287.35 | K | Fabrication and properties of poly(polyethylene glycol n-alkyl ether vinyl ether)s as polymeric phase change materials |
| Tfus | 288.15 ± 1.50 | K | NIST |
| Vc | 1.009 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 71.90 | kJ/mol | 567.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [463.00; 463.20] | K | [1.50; 1.50] |
|
| Tboilr | 463.20 | K | 1.50 | NIST |
| Tboilr | 463.00 | K | 1.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [358.89; 853.85] | 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 | -3.46500e+00 | |||
| Coefficient B | 1.56202e+00 | |||
| Coefficient C | -9.18000e-04 | |||
| Coefficient D | 2.13300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 358.89 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 443.69 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 519.47 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 586.90 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 646.65 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 699.39 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 745.81 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 786.58 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 822.37 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 853.86 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0073110; 0.0002074] | Pa×s | [287.75; 561.74] |
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 | -1.22226e+01 | |||
| Coefficient B | 2.10178e+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. | 287.75 | |||
| Temperature range, max. | 561.74 | |||
| η | 0.0073110 | Pa×s | 287.75 | Calculated Property |
| η | 0.0036348 | Pa×s | 318.19 | Calculated Property |
| η | 0.0020417 | Pa×s | 348.64 | Calculated Property |
| η | 0.0012581 | Pa×s | 379.08 | Calculated Property |
| η | 0.0008332 | Pa×s | 409.52 | Calculated Property |
| η | 0.0005841 | Pa×s | 439.96 | Calculated Property |
| η | 0.0004288 | Pa×s | 470.41 | Calculated Property |
| η | 0.0003268 | Pa×s | 500.85 | Calculated Property |
| η | 0.0002570 | Pa×s | 531.29 | Calculated Property |
| η | 0.0002074 | Pa×s | 561.74 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [467.32; 643.09] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.55101e+01 | |||
| Coefficient B | -5.43178e+03 | |||
| Coefficient C | -1.10494e+02 | |||
| Temperature range, min. | 467.32 | |||
| Temperature range, max. | 643.09 | |||
| Pvap | 1.33 | kPa | 467.32 | Calculated Property |
| Pvap | 2.94 | kPa | 486.85 | Calculated Property |
| Pvap | 5.99 | kPa | 506.38 | Calculated Property |
| Pvap | 11.41 | kPa | 525.91 | Calculated Property |
| Pvap | 20.53 | kPa | 545.44 | Calculated Property |
| Pvap | 35.10 | kPa | 564.97 | Calculated Property |
| Pvap | 57.44 | kPa | 584.50 | Calculated Property |
| Pvap | 90.40 | kPa | 604.03 | Calculated Property |
| Pvap | 137.44 | kPa | 623.56 | Calculated Property |
| Pvap | 202.63 | kPa | 643.09 | Calculated Property |
| Pvap | [1.32; 331.12] | kPa | [461.15; 673.15] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.20080e+02 | |||
| Coefficient B | -1.45997e+04 | |||
| Coefficient C | -1.45223e+01 | |||
| Coefficient D | 4.37035e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 461.15 | |||
| Temperature range, max. | 673.15 | |||
| Pvap | 1.32 | kPa | 461.15 | Calculated Property |
| Pvap | 3.28 | kPa | 484.71 | Calculated Property |
| Pvap | 7.35 | kPa | 508.26 | Calculated Property |
| Pvap | 15.13 | kPa | 531.82 | Calculated Property |
| Pvap | 28.90 | kPa | 555.37 | Calculated Property |
| Pvap | 51.77 | kPa | 578.93 | Calculated Property |
| Pvap | 87.82 | kPa | 602.48 | Calculated Property |
| Pvap | 142.10 | kPa | 626.04 | Calculated Property |
| Pvap | 220.77 | kPa | 649.59 | Calculated Property |
| Pvap | 331.12 | kPa | 673.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexadecane, 1-bromo-.
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Fabrication and properties of poly(polyethylene glycol n-alkyl ether vinyl ether)s as polymeric phase change materials
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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