- InChI
- InChI=1S/C5H9BrO2/c1-2-8-5(7)3-4-6/h2-4H2,1H3
- InChI Key
- FQTIYMRSUOADDK-UHFFFAOYSA-N
- Formula
- C5H9BrO2
- SMILES
- CCOC(=O)CCBr
- Molecular Weight1
- 181.03
- CAS
- 539-74-2
- Other Names
-
- Propionic acid, 3-bromo-, ethyl ester
- Ethyl «beta»-bromopropionate
- Ethyl 3-bromopropanoate
- Ethyl 3-bromopropionate
- 3-Bromopropionic acid ethyl ester
- «beta»-Bromopropionic acid 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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° | -228.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -365.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.31 | kJ/mol | Joback Calculated Property |
| log10WS | -1.21 | Crippen Calculated Property | |
| logPoct/wat | 1.334 | Crippen Calculated Property | |
| McVol | 106.250 | ml/mol | McGowan Calculated Property |
| Pc | 3990.60 | kPa | Joback Calculated Property |
| Inp | [978.00; 1007.00] |
|
|
| Inp | 978.00 | NIST | |
| Inp | 1007.00 | NIST | |
| Inp | 978.00 | NIST | |
| Inp | 1007.00 | NIST | |
| I | [1474.00; 1474.00] |
|
|
| I | 1474.00 | NIST | |
| I | 1474.00 | NIST | |
| Tboil | 456.25 | K | Joback Calculated Property |
| Tc | 652.96 | K | Joback Calculated Property |
| Tfus | 278.07 | K | Joback Calculated Property |
| Vc | 0.402 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [195.91; 241.64] | J/mol×K | [456.25; 652.96] |
|
| Cp,gas | 195.91 | J/mol×K | 456.25 | Joback Calculated Property |
| Cp,gas | 204.39 | J/mol×K | 489.03 | Joback Calculated Property |
| Cp,gas | 212.52 | J/mol×K | 521.82 | Joback Calculated Property |
| Cp,gas | 220.31 | J/mol×K | 554.60 | Joback Calculated Property |
| Cp,gas | 227.76 | J/mol×K | 587.39 | Joback Calculated Property |
| Cp,gas | 234.86 | J/mol×K | 620.17 | Joback Calculated Property |
| Cp,gas | 241.64 | J/mol×K | 652.96 | Joback Calculated Property |
| η | [0.0003528; 0.0026445] | Pa×s | [278.07; 456.25] |
|
| η | 0.0026445 | Pa×s | 278.07 | Joback Calculated Property |
| η | 0.0016076 | Pa×s | 307.77 | Joback Calculated Property |
| η | 0.0010668 | Pa×s | 337.46 | Joback Calculated Property |
| η | 0.0007565 | Pa×s | 367.16 | Joback Calculated Property |
| η | 0.0005647 | Pa×s | 396.86 | Joback Calculated Property |
| η | 0.0004391 | Pa×s | 426.55 | Joback Calculated Property |
| η | 0.0003528 | Pa×s | 456.25 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 408.70 | K | 6.70 | NIST |
Similar Compounds
Find more compounds similar to Propanoic acid, 3-bromo-, ethyl ester.
Sources
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