- 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
- 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 | 0.5623 | Relay (1.0) Calculated Property | |
| ΔfG° | -433.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -519.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.513 | Crippen Calculated Property | |
| McVol | 107.820 | ml/mol | McGowan Calculated Property |
| Pc | 4103.88 | kPa | Joback Calculated Property |
| Tboil | 478.09 | K | Relay (1.0) Calculated Property |
| Tc | 673.32 | K | Relay (1.0) Calculated Property |
| Tfus | 299.28 | K | Relay (1.0) Calculated Property |
| Vc | 0.402 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [205.00; 247.09] | J/mol×K | [492.25; 696.14] | 
|
| Cp,gas | 205.00 | J/mol×K | 492.25 | Joback Calculated Property |
| Cp,gas | 213.04 | J/mol×K | 526.23 | Joback Calculated Property |
| Cp,gas | 220.67 | J/mol×K | 560.21 | Joback Calculated Property |
| Cp,gas | 227.89 | J/mol×K | 594.20 | Joback Calculated Property |
| Cp,gas | 234.69 | J/mol×K | 628.18 | Joback Calculated Property |
| Cp,gas | 241.09 | J/mol×K | 662.16 | Joback Calculated Property |
| Cp,gas | 247.09 | J/mol×K | 696.14 | Joback Calculated Property |
| η | [0.0003553; 0.0033728] | Pa×s | [298.17; 492.25] |
|
| η | 0.0033728 | Pa×s | 298.17 | Joback Calculated Property |
| η | 0.0019292 | Pa×s | 330.52 | Joback Calculated Property |
| η | 0.0012191 | Pa×s | 362.86 | Joback Calculated Property |
| η | 0.0008304 | Pa×s | 395.21 | Joback Calculated Property |
| η | 0.0005995 | Pa×s | 427.56 | Joback Calculated Property |
| η | 0.0004531 | Pa×s | 459.90 | Joback Calculated Property |
| η | 0.0003553 | Pa×s | 492.25 | 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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