- InChI
- InChI=1S/C8H13BrO4/c1-4-12-6(10)8(3,9)7(11)13-5-2/h4-5H2,1-3H3
- InChI Key
- CSLQAXTUGPUBCW-UHFFFAOYSA-N
- Formula
- C8H13BrO4
- SMILES
- CCOC(=O)C(C)(Br)C(=O)OCC
- Molecular Weight1
- 253.09
- Other Names
-
- Diethyl bromomethylmalonate
- Diethyl 2-bromo-2-methylmalonate
- Diethyl methylbromomalonate
- Malonic acid, bromomethyl-, diethyl ester
- propanedioic acid, 2-chloro-2-methyl-, diethyl 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).
- 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 | 0.5444 | Relay (1.0) Calculated Property | |
| ΔfG° | -587.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -800.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.266 | Crippen Calculated Property | |
| McVol | 155.960 | ml/mol | McGowan Calculated Property |
| Pc | 2805.41 | kPa | Joback Calculated Property |
| Tboil | 502.10 | K | Relay (1.0) Calculated Property |
| Tc | 685.15 | K | Relay (1.0) Calculated Property |
| Tfus | 265.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.580 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [356.48; 417.63] | J/mol×K | [562.01; 764.75] | 
|
| Cp,gas | 356.48 | J/mol×K | 562.01 | Joback Calculated Property |
| Cp,gas | 368.50 | J/mol×K | 595.80 | Joback Calculated Property |
| Cp,gas | 379.76 | J/mol×K | 629.59 | Joback Calculated Property |
| Cp,gas | 390.29 | J/mol×K | 663.38 | Joback Calculated Property |
| Cp,gas | 400.10 | J/mol×K | 697.17 | Joback Calculated Property |
| Cp,gas | 409.21 | J/mol×K | 730.96 | Joback Calculated Property |
| Cp,gas | 417.63 | J/mol×K | 764.75 | Joback Calculated Property |
| η | [0.0001713; 0.0035573] | Pa×s | [326.80; 562.01] |
|
| η | 0.0035573 | Pa×s | 326.80 | Joback Calculated Property |
| η | 0.0016368 | Pa×s | 366.00 | Joback Calculated Property |
| η | 0.0008752 | Pa×s | 405.20 | Joback Calculated Property |
| η | 0.0005226 | Pa×s | 444.40 | Joback Calculated Property |
| η | 0.0003393 | Pa×s | 483.61 | Joback Calculated Property |
| η | 0.0002350 | Pa×s | 522.81 | Joback Calculated Property |
| η | 0.0001713 | Pa×s | 562.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanedioic acid, bromomethyl-, diethyl ester.
Sources
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