- 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
- CAS
- 29263-94-3
- Other Names
-
- Diethyl bromomethylmalonate
- Diethyl 2-bromo-2-methylmalonate
- Diethyl methylbromomalonate
- Malonic acid, bromomethyl-, diethyl ester
- propanedioic acid, 2-chloro-2-methyl-, diethyl ester
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -434.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -680.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.85 | kJ/mol | Joback Calculated Property |
| log10WS | -1.44 | Crippen Calculated Property | |
| logPoct/wat | 1.266 | Crippen Calculated Property | |
| McVol | 155.960 | ml/mol | McGowan Calculated Property |
| Pc | 3065.95 | kPa | Joback Calculated Property |
| Tboil | 597.95 | K | Joback Calculated Property |
| Tc | 805.44 | K | Joback Calculated Property |
| Tfus | 386.46 | K | Joback Calculated Property |
| Vc | 0.583 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [362.82; 421.66] | J/mol×K | [597.95; 805.44] | 
|
| Cp,gas | 362.82 | J/mol×K | 597.95 | Joback Calculated Property |
| Cp,gas | 374.23 | J/mol×K | 632.53 | Joback Calculated Property |
| Cp,gas | 384.98 | J/mol×K | 667.11 | Joback Calculated Property |
| Cp,gas | 395.08 | J/mol×K | 701.70 | Joback Calculated Property |
| Cp,gas | 404.55 | J/mol×K | 736.28 | Joback Calculated Property |
| Cp,gas | 413.41 | J/mol×K | 770.86 | Joback Calculated Property |
| Cp,gas | 421.66 | J/mol×K | 805.44 | Joback Calculated Property |
| η | [0.0001961; 0.0016474] | Pa×s | [386.46; 597.95] |
|
| η | 0.0016474 | Pa×s | 386.46 | Joback Calculated Property |
| η | 0.0009962 | Pa×s | 421.71 | Joback Calculated Property |
| η | 0.0006511 | Pa×s | 456.96 | Joback Calculated Property |
| η | 0.0004522 | Pa×s | 492.21 | Joback Calculated Property |
| η | 0.0003298 | Pa×s | 527.45 | Joback Calculated Property |
| η | 0.0002502 | Pa×s | 562.70 | Joback Calculated Property |
| η | 0.0001961 | Pa×s | 597.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanedioic acid, bromomethyl-, diethyl ester.
Sources
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