- InChI
- InChI=1S/C4H6Br2O2/c1-8-4(7)3(6)2-5/h3H,2H2,1H3
- InChI Key
- ROXQOUUAPQUMLN-UHFFFAOYSA-N
- Formula
- C4H6Br2O2
- SMILES
- COC(=O)C(Br)CBr
- Molecular Weight1
- 245.90
- CAS
- 1729-67-5
- Other Names
-
- Methyl «alpha»,«beta»-dibromopropionate
- Propanoic acid, 2,3-dibromo-, methyl ester
- Methyl dibromopropionate
- Methyl 2,3-dibromopropanoate
- Propionic acid, 2,3-dibromo-, methyl ester
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- 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 | 0.5153 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -396.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.50 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.318 | Crippen Calculated Property | |
| McVol | 109.660 | ml/mol | McGowan Calculated Property |
| Pc | 4749.69 | kPa | Joback Calculated Property |
| Inp | [1070.00; 1114.00] |
|
|
| Inp | 1070.00 | NIST | |
| Inp | 1114.00 | NIST | |
| Inp | 1114.00 | NIST | |
| Inp | 1070.00 | NIST | |
| Tboil | 469.19 | K | Relay (1.0) Calculated Property |
| Tc | 683.37 | K | Relay (1.0) Calculated Property |
| Tfus | 302.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.374 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [185.75; 223.13] | J/mol×K | [481.22; 699.09] |
|
| Cp,gas | 185.75 | J/mol×K | 481.22 | Joback Calculated Property |
| Cp,gas | 193.07 | J/mol×K | 517.53 | Joback Calculated Property |
| Cp,gas | 199.94 | J/mol×K | 553.84 | Joback Calculated Property |
| Cp,gas | 206.36 | J/mol×K | 590.15 | Joback Calculated Property |
| Cp,gas | 212.36 | J/mol×K | 626.46 | Joback Calculated Property |
| Cp,gas | 217.95 | J/mol×K | 662.78 | Joback Calculated Property |
| Cp,gas | 223.13 | J/mol×K | 699.09 | Joback Calculated Property |
| η | [0.0003456; 0.0041157] | Pa×s | [281.77; 481.22] |
|
| η | 0.0041157 | Pa×s | 281.77 | Joback Calculated Property |
| η | 0.0021904 | Pa×s | 315.01 | Joback Calculated Property |
| η | 0.0013149 | Pa×s | 348.25 | Joback Calculated Property |
| η | 0.0008627 | Pa×s | 381.50 | Joback Calculated Property |
| η | 0.0006056 | Pa×s | 414.74 | Joback Calculated Property |
| η | 0.0004481 | Pa×s | 447.98 | Joback Calculated Property |
| η | 0.0003456 | Pa×s | 481.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 2,3-dibromopropionate.
Sources
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