- InChI
- InChI=1S/C16H10Br2F2O5/c17-11-5-9(19)1-3-13(11)24-15(21)7-23-8-16(22)25-14-4-2-10(20)6-12(14)18/h1-6H,7-8H2
- InChI Key
- NIFJDLHXGABPDV-UHFFFAOYSA-N
- Formula
- C16H10Br2F2O5
- SMILES
-
O=C(COCC(=O)Oc1ccc(F)cc1Br)Oc1
ccc(F)cc1Br - Molecular Weight1
- 480.05
- 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° | -663.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -907.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.37 | kJ/mol | Joback Calculated Property |
| log10WS | -5.82 | Crippen Calculated Property | |
| logPoct/wat | 4.017 | Crippen Calculated Property | |
| McVol | 248.070 | ml/mol | McGowan Calculated Property |
| Pc | 2429.05 | kPa | Joback Calculated Property |
| Inp | [3472.00; 3472.00] |
|
|
| Inp | 3472.00 | NIST | |
| Inp | 3472.00 | NIST | |
| Tboil | 944.62 | K | Joback Calculated Property |
| Tc | 1182.67 | K | Joback Calculated Property |
| Tfus | 660.33 | K | Joback Calculated Property |
| Vc | 0.942 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [650.70; 681.01] | J/mol×K | [944.62; 1182.67] |
|
| Cp,gas | 650.70 | J/mol×K | 944.62 | Joback Calculated Property |
| Cp,gas | 658.59 | J/mol×K | 984.30 | Joback Calculated Property |
| Cp,gas | 665.33 | J/mol×K | 1023.97 | Joback Calculated Property |
| Cp,gas | 670.93 | J/mol×K | 1063.65 | Joback Calculated Property |
| Cp,gas | 675.40 | J/mol×K | 1103.32 | Joback Calculated Property |
| Cp,gas | 678.76 | J/mol×K | 1143.00 | Joback Calculated Property |
| Cp,gas | 681.01 | J/mol×K | 1182.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, di(2-bromo-4-fluorophenyl) ester.
Sources
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