- 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).
- 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 | 0.5417 | Relay (1.0) Calculated Property | |
| ΔfG° | -216.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -437.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.565 | Crippen Calculated Property | |
| McVol | 123.750 | ml/mol | McGowan Calculated Property |
| Pc | 4409.10 | kPa | Joback Calculated Property |
| Tboil | 496.93 | K | Relay (1.0) Calculated Property |
| Tc | 685.55 | K | Relay (1.0) Calculated Property |
| Tfus | 308.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.406 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [226.54; 269.82] | J/mol×K | [521.97; 739.28] | 
|
| Cp,gas | 226.54 | J/mol×K | 521.97 | Joback Calculated Property |
| Cp,gas | 234.87 | J/mol×K | 558.19 | Joback Calculated Property |
| Cp,gas | 242.73 | J/mol×K | 594.41 | Joback Calculated Property |
| Cp,gas | 250.14 | J/mol×K | 630.63 | Joback Calculated Property |
| Cp,gas | 257.11 | J/mol×K | 666.84 | Joback Calculated Property |
| Cp,gas | 263.67 | J/mol×K | 703.06 | Joback Calculated Property |
| Cp,gas | 269.82 | J/mol×K | 739.28 | Joback Calculated Property |
| η | [0.0003296; 0.0026265] | Pa×s | [322.87; 521.97] |
|
| η | 0.0026265 | Pa×s | 322.87 | Joback Calculated Property |
| η | 0.0015817 | Pa×s | 356.05 | Joback Calculated Property |
| η | 0.0010386 | Pa×s | 389.24 | Joback Calculated Property |
| η | 0.0007285 | Pa×s | 422.42 | Joback Calculated Property |
| η | 0.0005381 | Pa×s | 455.60 | Joback Calculated Property |
| η | 0.0004142 | Pa×s | 488.79 | Joback Calculated Property |
| η | 0.0003296 | Pa×s | 521.97 | 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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