- InChI
- InChI=1S/C12H12BrFO5/c1-2-18-11(15)6-17-7-12(16)19-10-4-3-8(14)5-9(10)13/h3-5H,2,6-7H2,1H3
- InChI Key
- AAURJXDVRUDXIE-UHFFFAOYSA-N
- Formula
- C12H12BrFO5
- SMILES
- CCOC(=O)COCC(=O)Oc1ccc(F)cc1Br
- Molecular Weight1
- 335.12
- 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° | -610.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -869.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.25 | kJ/mol | Joback Calculated Property |
| log10WS | -2.90 | Crippen Calculated Property | |
| logPoct/wat | 2.073 | Crippen Calculated Property | |
| McVol | 196.200 | ml/mol | McGowan Calculated Property |
| Pc | 2576.72 | kPa | Joback Calculated Property |
| Inp | 2518.00 | NIST | |
| Tboil | 751.03 | K | Joback Calculated Property |
| Tc | 963.60 | K | Joback Calculated Property |
| Tfus | 503.40 | K | Joback Calculated Property |
| Vc | 0.746 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [503.30; 557.32] | J/mol×K | [751.03; 963.60] | 
|
| Cp,gas | 503.30 | J/mol×K | 751.03 | Joback Calculated Property |
| Cp,gas | 514.39 | J/mol×K | 786.46 | Joback Calculated Property |
| Cp,gas | 524.66 | J/mol×K | 821.89 | Joback Calculated Property |
| Cp,gas | 534.09 | J/mol×K | 857.31 | Joback Calculated Property |
| Cp,gas | 542.69 | J/mol×K | 892.74 | Joback Calculated Property |
| Cp,gas | 550.43 | J/mol×K | 928.17 | Joback Calculated Property |
| Cp,gas | 557.32 | J/mol×K | 963.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 2-bromo-4-fluorophenyl ethyl ester.
Sources
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