- InChI
- InChI=1S/C5H8Br2O2/c1-9-5(8)4(2-6)3-7/h4H,2-3H2,1H3
- InChI Key
- USXVPPOARMSYGY-UHFFFAOYSA-N
- Formula
- C5H8Br2O2
- SMILES
- COC(=O)C(CBr)CBr
- Molecular Weight1
- 259.92
- CAS
- 22262-60-8
- Other Names
-
- Propanoic acid, 3-bromo-2-(bromomethyl)-, 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).
- 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 | 0.5417 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -437.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.10 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.565 | Crippen Calculated Property | |
| McVol | 123.750 | ml/mol | McGowan Calculated Property |
| Pc | 4178.49 | kPa | Joback Calculated Property |
| Tboil | 496.93 | K | Relay (1.0) Calculated Property |
| Tc | 690.00 | K | Relay (1.0) Calculated Property |
| Tfus | 297.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.409 | 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 | [225.10; 269.43] | J/mol×K | [504.10; 718.56] | 
|
| Cp,gas | 225.10 | J/mol×K | 504.10 | Joback Calculated Property |
| Cp,gas | 233.74 | J/mol×K | 539.84 | Joback Calculated Property |
| Cp,gas | 241.86 | J/mol×K | 575.59 | Joback Calculated Property |
| Cp,gas | 249.47 | J/mol×K | 611.33 | Joback Calculated Property |
| Cp,gas | 256.59 | J/mol×K | 647.07 | Joback Calculated Property |
| Cp,gas | 263.24 | J/mol×K | 682.81 | Joback Calculated Property |
| Cp,gas | 269.43 | J/mol×K | 718.56 | Joback Calculated Property |
| η | [0.0003079; 0.0039069] | Pa×s | [293.04; 504.10] |
|
| η | 0.0039069 | Pa×s | 293.04 | Joback Calculated Property |
| η | 0.0020388 | Pa×s | 328.22 | Joback Calculated Property |
| η | 0.0012067 | Pa×s | 363.39 | Joback Calculated Property |
| η | 0.0007834 | Pa×s | 398.57 | Joback Calculated Property |
| η | 0.0005456 | Pa×s | 433.75 | Joback Calculated Property |
| η | 0.0004011 | Pa×s | 468.92 | Joback Calculated Property |
| η | 0.0003079 | Pa×s | 504.10 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 334.20 | K | 0.05 | NIST |
Similar Compounds
Find more compounds similar to Methyl 3-bromo-2-(bromomethyl)propionate.
Sources
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