- 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
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | -224.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -323.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.14 | kJ/mol | Joback Calculated Property |
| log10WS | -1.33 | Crippen Calculated Property | |
| logPoct/wat | 1.318 | Crippen Calculated Property | |
| McVol | 109.660 | ml/mol | McGowan Calculated Property |
| Pc | 5029.93 | 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 | 499.09 | K | Joback Calculated Property |
| Tc | 720.07 | K | Joback Calculated Property |
| Tfus | 311.60 | K | Joback Calculated Property |
| Vc | 0.402 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [186.60; 222.87] | J/mol×K | [499.09; 720.07] |
|
| Cp,gas | 186.60 | J/mol×K | 499.09 | Joback Calculated Property |
| Cp,gas | 193.59 | J/mol×K | 535.92 | Joback Calculated Property |
| Cp,gas | 200.19 | J/mol×K | 572.75 | Joback Calculated Property |
| Cp,gas | 206.40 | J/mol×K | 609.58 | Joback Calculated Property |
| Cp,gas | 212.25 | J/mol×K | 646.41 | Joback Calculated Property |
| Cp,gas | 217.73 | J/mol×K | 683.24 | Joback Calculated Property |
| Cp,gas | 222.87 | J/mol×K | 720.07 | Joback Calculated Property |
| η | [0.0003676; 0.0027287] | Pa×s | [311.60; 499.09] |
|
| η | 0.0027287 | Pa×s | 311.60 | Joback Calculated Property |
| η | 0.0016778 | Pa×s | 342.85 | Joback Calculated Property |
| η | 0.0011189 | Pa×s | 374.10 | Joback Calculated Property |
| η | 0.0007943 | Pa×s | 405.35 | Joback Calculated Property |
| η | 0.0005922 | Pa×s | 436.59 | Joback Calculated Property |
| η | 0.0004592 | Pa×s | 467.84 | Joback Calculated Property |
| η | 0.0003676 | Pa×s | 499.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 2,3-dibromopropionate.
Sources
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