- InChI
- InChI=1S/C13H14BrFO5/c1-18-6-7-19-12(16)4-5-13(17)20-11-3-2-9(15)8-10(11)14/h2-3,8H,4-7H2,1H3
- InChI Key
- BEXNDDUOWWPPKO-UHFFFAOYSA-N
- Formula
- C13H14BrFO5
- SMILES
-
COCCOC(=O)CCC(=O)Oc1ccc(F)cc1B
r - Molecular Weight1
- 349.15
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -601.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -889.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.47 | kJ/mol | Joback Calculated Property |
| log10WS | -3.32 | Crippen Calculated Property | |
| logPoct/wat | 2.463 | Crippen Calculated Property | |
| McVol | 210.290 | ml/mol | McGowan Calculated Property |
| Pc | 2342.82 | kPa | Joback Calculated Property |
| Inp | 2121.00 | NIST | |
| Tboil | 773.91 | K | Joback Calculated Property |
| Tc | 984.17 | K | Joback Calculated Property |
| Tfus | 514.67 | K | Joback Calculated Property |
| Vc | 0.801 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [556.10; 612.16] | J/mol×K | [773.91; 984.17] | 
|
| Cp,gas | 556.10 | J/mol×K | 773.91 | Joback Calculated Property |
| Cp,gas | 567.65 | J/mol×K | 808.95 | Joback Calculated Property |
| Cp,gas | 578.32 | J/mol×K | 844.00 | Joback Calculated Property |
| Cp,gas | 588.11 | J/mol×K | 879.04 | Joback Calculated Property |
| Cp,gas | 597.02 | J/mol×K | 914.09 | Joback Calculated Property |
| Cp,gas | 605.04 | J/mol×K | 949.13 | Joback Calculated Property |
| Cp,gas | 612.16 | J/mol×K | 984.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2-bromo-4-fluorophenyl 2-methoxyethyl ester.
Sources
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