- InChI
- InChI=1S/C6H9BrO2/c1-2-9-6(8)4-3-5-7/h3-4H,2,5H2,1H3/b4-3+
- InChI Key
- FHGRPBSDPBRTLS-ONEGZZNKSA-N
- Formula
- C6H9BrO2
- SMILES
- CCOC(=O)C=CCBr
- Molecular Weight1
- 193.04
- CAS
- 37746-78-4
- Other Names
-
- Ethyl (E)-4-bromo-2-butenoate
- Ethyl «gamma»-bromocrotonate
- Ethyl 4-bromocrotonate
- 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).
- 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).
- 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 | 0.4882 | Relay (1.0) Calculated Property | |
| ΔfG° | -139.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -375.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.501 | Crippen Calculated Property | |
| McVol | 116.040 | ml/mol | McGowan Calculated Property |
| Pc | 3777.68 | kPa | Joback Calculated Property |
| Tboil | 468.57 | K | Relay (1.0) Calculated Property |
| Tc | 651.79 | K | Relay (1.0) Calculated Property |
| Tfus | 269.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.401 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [217.83; 266.25] | J/mol×K | [483.29; 687.04] | 
|
| Cp,gas | 217.83 | J/mol×K | 483.29 | Joback Calculated Property |
| Cp,gas | 227.03 | J/mol×K | 517.25 | Joback Calculated Property |
| Cp,gas | 235.76 | J/mol×K | 551.21 | Joback Calculated Property |
| Cp,gas | 244.02 | J/mol×K | 585.16 | Joback Calculated Property |
| Cp,gas | 251.85 | J/mol×K | 619.12 | Joback Calculated Property |
| Cp,gas | 259.25 | J/mol×K | 653.08 | Joback Calculated Property |
| Cp,gas | 266.25 | J/mol×K | 687.04 | Joback Calculated Property |
| η | [0.0002745; 0.0024279] | Pa×s | [284.26; 483.29] |
|
| η | 0.0024279 | Pa×s | 284.26 | Joback Calculated Property |
| η | 0.0013964 | Pa×s | 317.43 | Joback Calculated Property |
| η | 0.0008917 | Pa×s | 350.60 | Joback Calculated Property |
| η | 0.0006154 | Pa×s | 383.77 | Joback Calculated Property |
| η | 0.0004505 | Pa×s | 416.95 | Joback Calculated Property |
| η | 0.0003453 | Pa×s | 450.12 | Joback Calculated Property |
| η | 0.0002745 | Pa×s | 483.29 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [367.70; 376.50] | K | [1.60; 2.00] |
|
| Tboilr | 367.70 | K | 1.60 | NIST |
| Tboilr | 376.50 ± 0.50 | K | 2.00 | NIST |
Similar Compounds
Find more compounds similar to 2-Butenoic acid, 4-bromo-, ethyl ester, (E)-.
Sources
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