- InChI
- InChI=1S/C7H11BrO4/c1-4(8)5(6(9)11-2)7(10)12-3/h4-5H,1-3H3
- InChI Key
- FPEOKHVGTMWSAN-UHFFFAOYSA-N
- Formula
- C7H11BrO4
- SMILES
- COC(=O)C(C(=O)OC)C(C)Br
- Molecular Weight1
- 239.07
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.5227 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -774.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.29 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.732 | Crippen Calculated Property | |
| McVol | 141.870 | ml/mol | McGowan Calculated Property |
| Pc | 3103.64 | kPa | Joback Calculated Property |
| Inp | 1340.00 | NIST | |
| Tboil | 498.35 | K | Relay (1.0) Calculated Property |
| Tc | 684.46 | K | Relay (1.0) Calculated Property |
| Tfus | 296.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.484 | 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 | [308.63; 365.74] | J/mol×K | [541.48; 743.73] | 
|
| Cp,gas | 308.63 | J/mol×K | 541.48 | Joback Calculated Property |
| Cp,gas | 319.64 | J/mol×K | 575.19 | Joback Calculated Property |
| Cp,gas | 330.06 | J/mol×K | 608.90 | Joback Calculated Property |
| Cp,gas | 339.88 | J/mol×K | 642.60 | Joback Calculated Property |
| Cp,gas | 349.10 | J/mol×K | 676.31 | Joback Calculated Property |
| Cp,gas | 357.72 | J/mol×K | 710.02 | Joback Calculated Property |
| Cp,gas | 365.74 | J/mol×K | 743.73 | Joback Calculated Property |
| η | [0.0001873; 0.0065560] | Pa×s | [283.11; 541.48] |
|
| η | 0.0065560 | Pa×s | 283.11 | Joback Calculated Property |
| η | 0.0024515 | Pa×s | 326.17 | Joback Calculated Property |
| η | 0.0011531 | Pa×s | 369.23 | Joback Calculated Property |
| η | 0.0006349 | Pa×s | 412.30 | Joback Calculated Property |
| η | 0.0003914 | Pa×s | 455.36 | Joback Calculated Property |
| η | 0.0002623 | Pa×s | 498.42 | Joback Calculated Property |
| η | 0.0001873 | Pa×s | 541.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethyl 1-bromoethylmalonate.
Sources
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