- InChI
- InChI=1S/C5H7BrO4/c1-9-4(7)3(6)5(8)10-2/h3H,1-2H3
- InChI Key
- NEMOJKROKMMQBQ-UHFFFAOYSA-N
- Formula
- C5H7BrO4
- SMILES
- COC(=O)C(Br)C(=O)OC
- Molecular Weight1
- 211.01
- CAS
- 868-26-8
- Other Names
-
- 2-Bromo dimethyl malonate
- Dimethyl bromomalonate
- 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 | 0.5084 | Relay (1.0) Calculated Property | |
| ΔfG° | -464.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -721.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.096 | Crippen Calculated Property | |
| McVol | 113.690 | ml/mol | McGowan Calculated Property |
| Pc | 4277.45 | kPa | Joback Calculated Property |
| Tboil | 475.76 | K | Relay (1.0) Calculated Property |
| Tc | 662.83 | K | Relay (1.0) Calculated Property |
| Tfus | 312.73 | K | Relay (1.0) Calculated Property |
| Vc | 0.407 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [226.92; 269.56] | J/mol×K | [532.10; 741.52] | 
|
| Cp,gas | 226.92 | J/mol×K | 532.10 | Joback Calculated Property |
| Cp,gas | 234.93 | J/mol×K | 567.00 | Joback Calculated Property |
| Cp,gas | 242.59 | J/mol×K | 601.91 | Joback Calculated Property |
| Cp,gas | 249.90 | J/mol×K | 636.81 | Joback Calculated Property |
| Cp,gas | 256.83 | J/mol×K | 671.71 | Joback Calculated Property |
| Cp,gas | 263.39 | J/mol×K | 706.62 | Joback Calculated Property |
| Cp,gas | 269.56 | J/mol×K | 741.52 | Joback Calculated Property |
| η | [0.0002881; 0.0021960] | Pa×s | [335.23; 532.10] |
|
| η | 0.0021960 | Pa×s | 335.23 | Joback Calculated Property |
| η | 0.0013461 | Pa×s | 368.04 | Joback Calculated Property |
| η | 0.0008939 | Pa×s | 400.85 | Joback Calculated Property |
| η | 0.0006316 | Pa×s | 433.67 | Joback Calculated Property |
| η | 0.0004686 | Pa×s | 466.48 | Joback Calculated Property |
| η | 0.0003616 | Pa×s | 499.29 | Joback Calculated Property |
| η | 0.0002881 | Pa×s | 532.10 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 379.70 | K | 1.50 | NIST |
Similar Compounds
Find more compounds similar to Propanedioic acid, bromo-, dimethyl ester.
Sources
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