- InChI
- InChI=1S/C11H11BrO2/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-8H,2H2,1H3/b8-5+
- InChI Key
- YOOKYIPLSLPRTC-VMPITWQZSA-N
- Formula
- C11H11BrO2
- SMILES
- CCOC(=O)C=Cc1ccc(Br)cc1
- Molecular Weight1
- 255.11
- CAS
- 24393-53-1
- Other Names
-
- Ethyl trans-4-bromocinnamate
- Ethyl (2E)-3-(4-bromophenyl)-2-propenoate
- trans-p-Bromocinnamic acid ethyl ester
- Cinnamic acid, p-bromo-, ethyl ester, (E)-
- 2-Propenoic acid, 3-(4-bromophenyl)-, ethyl ester
- 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).
- 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° | 5.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -146.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.57 | kJ/mol | Joback Calculated Property |
| log10WS | -3.58 | Crippen Calculated Property | |
| logPoct/wat | 3.025 | Crippen Calculated Property | |
| McVol | 162.730 | ml/mol | McGowan Calculated Property |
| Pc | 3117.52 | kPa | Joback Calculated Property |
| Tboil | 629.35 | K | Joback Calculated Property |
| Tc | 861.83 | K | Joback Calculated Property |
| Tfus | 379.55 | K | Joback Calculated Property |
| Vc | 0.610 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [363.25; 425.54] | J/mol×K | [629.35; 861.83] | 
|
| Cp,gas | 363.25 | J/mol×K | 629.35 | Joback Calculated Property |
| Cp,gas | 375.63 | J/mol×K | 668.10 | Joback Calculated Property |
| Cp,gas | 387.15 | J/mol×K | 706.84 | Joback Calculated Property |
| Cp,gas | 397.85 | J/mol×K | 745.59 | Joback Calculated Property |
| Cp,gas | 407.79 | J/mol×K | 784.33 | Joback Calculated Property |
| Cp,gas | 417.00 | J/mol×K | 823.08 | Joback Calculated Property |
| Cp,gas | 425.54 | J/mol×K | 861.83 | Joback Calculated Property |
| η | [0.0001650; 0.0012780] | Pa×s | [379.55; 629.35] |
|
| η | 0.0012780 | Pa×s | 379.55 | Joback Calculated Property |
| η | 0.0007676 | Pa×s | 421.18 | Joback Calculated Property |
| η | 0.0005053 | Pa×s | 462.82 | Joback Calculated Property |
| η | 0.0003564 | Pa×s | 504.45 | Joback Calculated Property |
| η | 0.0002651 | Pa×s | 546.08 | Joback Calculated Property |
| η | 0.0002056 | Pa×s | 587.72 | Joback Calculated Property |
| η | 0.0001650 | Pa×s | 629.35 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 453.20 | K | 2.40 | NIST |
Similar Compounds
Find more compounds similar to 2-Propenoic acid, 3-(4-bromophenyl)-, ethyl ester, (E)-.
Sources
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