- InChI
- InChI=1S/C18H25BrO2/c1-2-3-4-5-6-7-8-9-10-15-21-18(20)16-11-13-17(19)14-12-16/h9-14H,2-8,15H2,1H3/b10-9+
- InChI Key
- PTJQZPBXJDRGFY-MDZDMXLPSA-N
- Formula
- C18H25BrO2
- SMILES
- CCCCCCCCC=CCOC(=O)c1ccc(Br)cc1
- Molecular Weight1
- 353.29
- 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° | 64.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -291.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.15 | kJ/mol | Joback Calculated Property |
| log10WS | -6.92 | Crippen Calculated Property | |
| logPoct/wat | 5.913 | Crippen Calculated Property | |
| McVol | 261.360 | ml/mol | McGowan Calculated Property |
| Pc | 1648.43 | kPa | Joback Calculated Property |
| Inp | [2325.00; 2325.00] |
|
|
| Inp | 2325.00 | NIST | |
| Inp | 2325.00 | NIST | |
| Tboil | 789.51 | K | Joback Calculated Property |
| Tc | 998.63 | K | Joback Calculated Property |
| Tfus | 458.44 | K | Joback Calculated Property |
| Vc | 1.002 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [731.35; 811.97] | J/mol×K | [789.51; 998.63] |
|
| Cp,gas | 731.35 | J/mol×K | 789.51 | Joback Calculated Property |
| Cp,gas | 747.02 | J/mol×K | 824.36 | Joback Calculated Property |
| Cp,gas | 761.72 | J/mol×K | 859.22 | Joback Calculated Property |
| Cp,gas | 775.51 | J/mol×K | 894.07 | Joback Calculated Property |
| Cp,gas | 788.44 | J/mol×K | 928.92 | Joback Calculated Property |
| Cp,gas | 800.58 | J/mol×K | 963.78 | Joback Calculated Property |
| Cp,gas | 811.97 | J/mol×K | 998.63 | Joback Calculated Property |
| η | [0.0000696; 0.0007619] | Pa×s | [458.44; 789.51] |
|
| η | 0.0007619 | Pa×s | 458.44 | Joback Calculated Property |
| η | 0.0004127 | Pa×s | 513.62 | Joback Calculated Property |
| η | 0.0002517 | Pa×s | 568.80 | Joback Calculated Property |
| η | 0.0001676 | Pa×s | 623.97 | Joback Calculated Property |
| η | 0.0001192 | Pa×s | 679.15 | Joback Calculated Property |
| η | 0.0000892 | Pa×s | 734.33 | Joback Calculated Property |
| η | 0.0000696 | Pa×s | 789.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Bromobenzoic acid, undec-2-enyl ester.
Sources
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