- InChI
- InChI=1S/C5H7BrO3/c1-2-9-5(8)4(7)3-6/h2-3H2,1H3
- InChI Key
- VICYTAYPKBLQFB-UHFFFAOYSA-N
- Formula
- C5H7BrO3
- SMILES
- CCOC(=O)C(=O)CBr
- Molecular Weight1
- 195.01
- CAS
- 70-23-5
- Other Names
-
- Pyruvic acid, bromo-, ethyl ester
- «beta»-Bromopyruvic acid ethyl ester
- Ethyl bromopyruvate
- Bromopyruvic acid ethyl ester
- Ethyl 3-bromopyruvate
- 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° | -357.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -477.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.06 | kJ/mol | Joback Calculated Property |
| log10WS | -0.49 | Crippen Calculated Property | |
| logPoct/wat | 0.513 | Crippen Calculated Property | |
| McVol | 107.820 | ml/mol | McGowan Calculated Property |
| Pc | 4328.25 | kPa | Joback Calculated Property |
| Tboil | 510.12 | K | Joback Calculated Property |
| Tc | 716.96 | K | Joback Calculated Property |
| Tfus | 328.00 | K | Joback Calculated Property |
| Vc | 0.407 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [206.40; 247.48] | J/mol×K | [510.12; 716.96] | 
|
| Cp,gas | 206.40 | J/mol×K | 510.12 | Joback Calculated Property |
| Cp,gas | 214.16 | J/mol×K | 544.59 | Joback Calculated Property |
| Cp,gas | 221.56 | J/mol×K | 579.07 | Joback Calculated Property |
| Cp,gas | 228.58 | J/mol×K | 613.54 | Joback Calculated Property |
| Cp,gas | 235.24 | J/mol×K | 648.01 | Joback Calculated Property |
| Cp,gas | 241.54 | J/mol×K | 682.49 | Joback Calculated Property |
| Cp,gas | 247.48 | J/mol×K | 716.96 | Joback Calculated Property |
| η | [0.0003799; 0.0023661] | Pa×s | [328.00; 510.12] |
|
| η | 0.0023661 | Pa×s | 328.00 | Joback Calculated Property |
| η | 0.0015331 | Pa×s | 358.35 | Joback Calculated Property |
| η | 0.0010630 | Pa×s | 388.71 | Joback Calculated Property |
| η | 0.0007772 | Pa×s | 419.06 | Joback Calculated Property |
| η | 0.0005928 | Pa×s | 449.41 | Joback Calculated Property |
| η | 0.0004679 | Pa×s | 479.77 | Joback Calculated Property |
| η | 0.0003799 | Pa×s | 510.12 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 372.20 | K | 1.30 | NIST |
Similar Compounds
Find more compounds similar to Propanoic acid, 3-bromo-2-oxo-, ethyl ester.
Sources
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