- InChI
- InChI=1S/C18H37Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3
- InChI Key
- WSULSMOGMLRGKU-UHFFFAOYSA-N
- Formula
- C18H37Br
- SMILES
- CCCCCCCCCCCCCCCCCCBr
- Molecular Weight1
- 333.40
- CAS
- 112-89-0
- Other Names
-
- 1-bromooctadecane
- Stearyl bromide
- n-octadecyl bromide
- octadecyl bromide
- 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).
- 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 | 0.8997 | Relay (1.0) Calculated Property | |
| ΔfG° | 115.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -417.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.643 | Crippen Calculated Property | |
| McVol | 281.980 | ml/mol | McGowan Calculated Property |
| Pc | 1208.15 | kPa | Joback Calculated Property |
| Inp | [2161.00; 2180.00] |
|
|
| Inp | 2180.00 | NIST | |
| Inp | 2172.00 | NIST | |
| Inp | 2161.00 | NIST | |
| Inp | 2180.00 | NIST | |
| Inp | 2172.00 | NIST | |
| Inp | 2161.00 | NIST | |
| Ip | [2436.00; 2465.00] |
|
|
| Ip | 2465.00 | NIST | |
| Ip | 2436.00 | NIST | |
| Ip | 2447.00 | NIST | |
| Ip | 2447.00 | NIST | |
| Ip | 2465.00 | NIST | |
| Tboil | 596.26 | K | Relay (1.0) Calculated Property |
| Tc | 770.67 | K | Relay (1.0) Calculated Property |
| Tfus | [296.65; 303.00] | K |
|
| Tfus | 296.65 | K | Fabrication and properties of poly(polyethylene glycol n-alkyl ether vinyl ether)s as polymeric phase change materials |
| Tfus | 301.25 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 300.95 ± 0.30 | K | NIST |
| Tfus | 303.00 ± 3.00 | K | NIST |
| Tfus | 302.00 ± 2.00 | K | NIST |
| Vc | 1.122 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 81.00 | kJ/mol | 551.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 488.20 | K | 1.60 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [401.32; 957.04] | 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 | -5.28300e+00 | |||
| Coefficient B | 1.75202e+00 | |||
| Coefficient C | -1.02680e-03 | |||
| Coefficient D | 2.37100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 401.32 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 496.53 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 581.62 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 657.35 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 724.47 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 783.72 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 835.85 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 881.61 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 921.76 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 957.04 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0073098; 0.0001707] | Pa×s | [300.77; 593.71] |
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 | -1.25327e+01 | |||
| Coefficient B | 2.29010e+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. | 300.77 | |||
| Temperature range, max. | 593.71 | |||
| η | 0.0073098 | Pa×s | 300.77 | Calculated Property |
| η | 0.0034753 | Pa×s | 333.32 | Calculated Property |
| η | 0.0018860 | Pa×s | 365.87 | Calculated Property |
| η | 0.0011310 | Pa×s | 398.42 | Calculated Property |
| η | 0.0007327 | Pa×s | 430.97 | Calculated Property |
| η | 0.0005045 | Pa×s | 463.52 | Calculated Property |
| η | 0.0003648 | Pa×s | 496.07 | Calculated Property |
| η | 0.0002745 | Pa×s | 528.61 | Calculated Property |
| η | 0.0002135 | Pa×s | 561.16 | Calculated Property |
| η | 0.0001707 | Pa×s | 593.71 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [488.12; 673.58] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.53450e+01 | |||
| Coefficient B | -5.57724e+03 | |||
| Coefficient C | -1.17722e+02 | |||
| Temperature range, min. | 488.12 | |||
| Temperature range, max. | 673.58 | |||
| Pvap | 1.33 | kPa | 488.12 | Calculated Property |
| Pvap | 2.95 | kPa | 508.73 | Calculated Property |
| Pvap | 6.02 | kPa | 529.33 | Calculated Property |
| Pvap | 11.49 | kPa | 549.94 | Calculated Property |
| Pvap | 20.67 | kPa | 570.55 | Calculated Property |
| Pvap | 35.32 | kPa | 591.15 | Calculated Property |
| Pvap | 57.74 | kPa | 611.76 | Calculated Property |
| Pvap | 90.73 | kPa | 632.37 | Calculated Property |
| Pvap | 137.71 | kPa | 652.97 | Calculated Property |
| Pvap | 202.64 | kPa | 673.58 | Calculated Property |
Similar Compounds
Find more compounds similar to Octadecane, 1-bromo-.
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
- 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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