- InChI
- InChI=1S/C5H7BrO2/c1-3-8-5(7)4(2)6/h2-3H2,1H3
- InChI Key
- UCDOJQCUOURTPS-UHFFFAOYSA-N
- Formula
- C5H7BrO2
- SMILES
- C=C(Br)C(=O)OCC
- Molecular Weight1
- 179.01
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 | 0.4348 | Relay (1.0) Calculated Property | |
| ΔfG° | -225.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -310.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.458 | Crippen Calculated Property | |
| McVol | 101.950 | ml/mol | McGowan Calculated Property |
| Pc | 4021.02 | kPa | Joback Calculated Property |
| Tboil | 426.22 | K | Relay (1.0) Calculated Property |
| Tc | 623.33 | K | Relay (1.0) Calculated Property |
| Tfus | 256.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.376 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [132.22; 265.68] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.92610e+01 | |||
| Coefficient B | 4.42120e-01 | |||
| Coefficient C | -2.50200e-04 | |||
| Coefficient D | 4.45000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 132.22 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 156.33 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 177.79 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 196.75 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 213.33 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 227.69 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 239.97 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 250.30 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 258.82 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 265.68 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Acrylic acid, 2-bromo-, ethyl ester.
Sources
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