- 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
- 333.39
- CAS
- 112-89-0
- Other Names
-
- 1-Bromooctadecane
- N-OCTADECYL BROMIDE
- Octadecyl bromide
- STEARYL BROMIDE
- 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).
- 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.
- I : 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 |
|---|---|---|---|
| ΔfG° | 115.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -388.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.10 | kJ/mol | Joback Calculated Property |
| log10WS | -7.79 | Crippen 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 | 2161.00 | NIST | |
| Inp | 2172.00 | NIST | |
| Inp | 2161.00 | NIST | |
| Inp | 2180.00 | NIST | |
| Inp | 2172.00 | NIST | |
| I | [2436.00; 2465.00] |
|
|
| I | 2447.00 | NIST | |
| I | 2465.00 | NIST | |
| I | 2436.00 | NIST | |
| I | 2447.00 | NIST | |
| I | 2465.00 | NIST | |
| Tboil | 677.40 | K | Joback Calculated Property |
| Tc | 847.91 | K | Joback Calculated Property |
| Tfus | [296.65; 303.00] | K |
|
| Tfus | 296.65 | K | Fabrica... |
| Tfus | 300.95 ± 0.30 | K | NIST |
| Tfus | 303.00 ± 3.00 | K | NIST |
| Tfus | 302.00 ± 2.00 | K | NIST |
| Vc | 1.105 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [784.07; 886.59] | J/mol×K | [677.40; 847.91] |
|
| Cp,gas | 784.07 | J/mol×K | 677.40 | Joback Calculated Property |
| Cp,gas | 803.16 | J/mol×K | 705.82 | Joback Calculated Property |
| Cp,gas | 821.41 | J/mol×K | 734.24 | Joback Calculated Property |
| Cp,gas | 838.85 | J/mol×K | 762.66 | Joback Calculated Property |
| Cp,gas | 855.50 | J/mol×K | 791.07 | Joback Calculated Property |
| Cp,gas | 871.41 | J/mol×K | 819.49 | Joback Calculated Property |
| Cp,gas | 886.59 | J/mol×K | 847.91 | Joback Calculated Property |
| η | [0.0001060; 0.0023948] | Pa×s | [352.42; 677.40] |
|
| η | 0.0023948 | Pa×s | 352.42 | Joback Calculated Property |
| η | 0.0010077 | Pa×s | 406.58 | Joback Calculated Property |
| η | 0.0005197 | Pa×s | 460.75 | Joback Calculated Property |
| η | 0.0003081 | Pa×s | 514.91 | Joback Calculated Property |
| η | 0.0002018 | Pa×s | 569.07 | Joback Calculated Property |
| η | 0.0001422 | Pa×s | 623.24 | Joback Calculated Property |
| η | 0.0001060 | Pa×s | 677.40 | Joback Calculated Property |
| 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 |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [488.12; 673.58] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| 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
- 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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