- InChI
- InChI=1S/C5H7BrO2/c1-8-5(7)3-2-4-6/h2-3H,4H2,1H3/b3-2+
- InChI Key
- RWIKCBHOVNDESJ-NSCUHMNNSA-N
- Formula
- C5H7BrO2
- SMILES
- COC(=O)C=CCBr
- Molecular Weight1
- 179.01
- CAS
- 1117-71-1
- Other Names
-
- 4-Bromo-2-butenoic acid methyl ester
- Crotonic acid, 4-bromo-, methyl ester
- Methyl 4-bromo-2-butenoate
- Methyl bromocrotonate
- Methyl «gamma»-bromocrotonate
- Methyl 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 | 0.4543 | Relay (1.0) Calculated Property | |
| ΔfG° | -148.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -337.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.110 | Crippen Calculated Property | |
| McVol | 101.950 | ml/mol | McGowan Calculated Property |
| Pc | 4266.28 | kPa | Joback Calculated Property |
| Tboil | 455.84 | K | Relay (1.0) Calculated Property |
| Tc | 649.70 | K | Relay (1.0) Calculated Property |
| Tfus | 288.77 | K | Relay (1.0) Calculated Property |
| Vc | 0.344 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [178.89; 220.37] | J/mol×K | [460.41; 666.92] | 
|
| Cp,gas | 178.89 | J/mol×K | 460.41 | Joback Calculated Property |
| Cp,gas | 186.79 | J/mol×K | 494.83 | Joback Calculated Property |
| Cp,gas | 194.27 | J/mol×K | 529.25 | Joback Calculated Property |
| Cp,gas | 201.36 | J/mol×K | 563.66 | Joback Calculated Property |
| Cp,gas | 208.06 | J/mol×K | 598.08 | Joback Calculated Property |
| Cp,gas | 214.39 | J/mol×K | 632.50 | Joback Calculated Property |
| Cp,gas | 220.37 | J/mol×K | 666.92 | Joback Calculated Property |
| η | [0.0002955; 0.0024211] | Pa×s | [272.99; 460.41] |
|
| η | 0.0024211 | Pa×s | 272.99 | Joback Calculated Property |
| η | 0.0014243 | Pa×s | 304.23 | Joback Calculated Property |
| η | 0.0009249 | Pa×s | 335.46 | Joback Calculated Property |
| η | 0.0006465 | Pa×s | 366.70 | Joback Calculated Property |
| η | 0.0004780 | Pa×s | 397.94 | Joback Calculated Property |
| η | 0.0003693 | Pa×s | 429.17 | Joback Calculated Property |
| η | 0.0002955 | Pa×s | 460.41 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 357.20 | K | 1.70 | NIST |
Similar Compounds
Find more compounds similar to 2-Butenoic acid, 4-bromo-, methyl ester.
Sources
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