- InChI
- InChI=1S/C18H35BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-18(20)17-19/h2-17H2,1H3
- InChI Key
- BTHNTCJTOYZMCB-UHFFFAOYSA-N
- Formula
- C18H35BrO2
- SMILES
- CCCCCCCCCCCCCCCCOC(=O)CBr
- Molecular Weight1
- 363.37
- CAS
- 5454-48-8
- Other Names
-
- Hexadecyl bromoacetate
- 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).
- Inp : Non-polar retention indices.
- 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° | -118.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -633.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.25 | kJ/mol | Joback Calculated Property |
| log10WS | -6.65 | Crippen Calculated Property | |
| logPoct/wat | 6.406 | Crippen Calculated Property | |
| McVol | 289.420 | ml/mol | McGowan Calculated Property |
| Pc | 1247.73 | kPa | Joback Calculated Property |
| Inp | 2287.60 | NIST | |
| Tboil | 753.69 | K | Joback Calculated Property |
| Tc | 933.68 | K | Joback Calculated Property |
| Tfus | 424.58 | K | Joback Calculated Property |
| Vc | 1.129 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [843.90; 937.22] | J/mol×K | [753.69; 933.68] | 
|
| Cp,gas | 843.90 | J/mol×K | 753.69 | Joback Calculated Property |
| Cp,gas | 861.56 | J/mol×K | 783.69 | Joback Calculated Property |
| Cp,gas | 878.35 | J/mol×K | 813.69 | Joback Calculated Property |
| Cp,gas | 894.28 | J/mol×K | 843.69 | Joback Calculated Property |
| Cp,gas | 909.38 | J/mol×K | 873.69 | Joback Calculated Property |
| Cp,gas | 923.68 | J/mol×K | 903.68 | Joback Calculated Property |
| Cp,gas | 937.22 | J/mol×K | 933.68 | Joback Calculated Property |
| η | [0.0000782; 0.0012037] | Pa×s | [424.58; 753.69] |
|
| η | 0.0012037 | Pa×s | 424.58 | Joback Calculated Property |
| η | 0.0005881 | Pa×s | 479.43 | Joback Calculated Property |
| η | 0.0003328 | Pa×s | 534.28 | Joback Calculated Property |
| η | 0.0002094 | Pa×s | 589.13 | Joback Calculated Property |
| η | 0.0001426 | Pa×s | 643.99 | Joback Calculated Property |
| η | 0.0001031 | Pa×s | 698.84 | Joback Calculated Property |
| η | 0.0000782 | Pa×s | 753.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Bromoacetic acid, hexadecyl ester.
Sources
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