- InChI
- InChI=1S/C14H16BrFO5/c1-2-19-7-8-20-13(17)5-6-14(18)21-12-4-3-10(16)9-11(12)15/h3-4,9H,2,5-8H2,1H3
- InChI Key
- PBWMJRQNUFFVEI-UHFFFAOYSA-N
- Formula
- C14H16BrFO5
- SMILES
-
CCOCCOC(=O)CCC(=O)Oc1ccc(F)cc1
Br - Molecular Weight1
- 363.18
- 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° | -593.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -910.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.70 | kJ/mol | Joback Calculated Property |
| log10WS | -3.74 | Crippen Calculated Property | |
| logPoct/wat | 2.853 | Crippen Calculated Property | |
| McVol | 224.380 | ml/mol | McGowan Calculated Property |
| Pc | 2139.38 | kPa | Joback Calculated Property |
| Inp | 2170.00 | NIST | |
| Tboil | 796.79 | K | Joback Calculated Property |
| Tc | 1005.29 | K | Joback Calculated Property |
| Tfus | 525.94 | K | Joback Calculated Property |
| Vc | 0.858 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [610.01; 667.73] | J/mol×K | [796.79; 1005.29] | 
|
| Cp,gas | 610.01 | J/mol×K | 796.79 | Joback Calculated Property |
| Cp,gas | 621.94 | J/mol×K | 831.54 | Joback Calculated Property |
| Cp,gas | 632.95 | J/mol×K | 866.29 | Joback Calculated Property |
| Cp,gas | 643.04 | J/mol×K | 901.04 | Joback Calculated Property |
| Cp,gas | 652.20 | J/mol×K | 935.79 | Joback Calculated Property |
| Cp,gas | 660.43 | J/mol×K | 970.54 | Joback Calculated Property |
| Cp,gas | 667.73 | J/mol×K | 1005.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2-bromo-4-fluorophenyl 2-ethoxyethyl ester.
Sources
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