- 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).
- 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 | 0.5084 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -721.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.23 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.096 | Crippen Calculated Property | |
| McVol | 113.690 | ml/mol | McGowan Calculated Property |
| Pc | 3853.09 | kPa | Joback Calculated Property |
| Tboil | 475.76 | K | Relay (1.0) Calculated Property |
| Tc | 666.18 | K | Relay (1.0) Calculated Property |
| Tfus | 305.74 | 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 | [223.92; 268.44] | J/mol×K | [496.16; 699.84] | 
|
| Cp,gas | 223.92 | J/mol×K | 496.16 | Joback Calculated Property |
| Cp,gas | 232.43 | J/mol×K | 530.11 | Joback Calculated Property |
| Cp,gas | 240.51 | J/mol×K | 564.05 | Joback Calculated Property |
| Cp,gas | 248.16 | J/mol×K | 598.00 | Joback Calculated Property |
| Cp,gas | 255.37 | J/mol×K | 631.95 | Joback Calculated Property |
| Cp,gas | 262.13 | J/mol×K | 665.90 | Joback Calculated Property |
| Cp,gas | 268.44 | J/mol×K | 699.84 | Joback Calculated Property |
| η | [0.0002547; 0.0053164] | Pa×s | [275.57; 496.16] |
|
| η | 0.0053164 | Pa×s | 275.57 | Joback Calculated Property |
| η | 0.0023782 | Pa×s | 312.33 | Joback Calculated Property |
| η | 0.0012603 | Pa×s | 349.10 | Joback Calculated Property |
| η | 0.0007538 | Pa×s | 385.87 | Joback Calculated Property |
| η | 0.0004930 | Pa×s | 422.63 | Joback Calculated Property |
| η | 0.0003451 | Pa×s | 459.39 | Joback Calculated Property |
| η | 0.0002547 | Pa×s | 496.16 | 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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