- InChI
- InChI=1S/C15H12F2O3/c1-19-14-6-3-9(7-12(14)15(18)20-2)11-5-4-10(16)8-13(11)17/h3-8H,1-2H3
- InChI Key
- JIZOQURFDNMVQH-UHFFFAOYSA-N
- Formula
- C15H12F2O3
- SMILES
-
COC(=O)c1cc(-c2ccc(F)cc2F)ccc1
OC - Molecular Weight1
- 278.25
- CAS
- 268746-73-2
- Other Names
-
- Diflunisal, bis-methylated
- Diflunisal, methyl ether, methyl ester
- Diflusinal Me
- Diflunisal, methylated
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6715 | Relay (1.0) Calculated Property | |
| ΔfG° | -466.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -713.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.427 | Crippen Calculated Property | |
| McVol | 191.540 | ml/mol | McGowan Calculated Property |
| Pc | 2231.30 | kPa | Joback Calculated Property |
| Inp | [1853.00; 1853.00] |
|
|
| Inp | 1853.00 | NIST | |
| Inp | 1853.00 | NIST | |
| Tboil | 622.84 | K | Relay (1.0) Calculated Property |
| Tc | 843.49 | K | Relay (1.0) Calculated Property |
| Tfus | 347.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.709 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [504.17; 570.16] | J/mol×K | [713.13; 931.03] |
|
| Cp,gas | 504.17 | J/mol×K | 713.13 | Joback Calculated Property |
| Cp,gas | 517.49 | J/mol×K | 749.45 | Joback Calculated Property |
| Cp,gas | 529.87 | J/mol×K | 785.76 | Joback Calculated Property |
| Cp,gas | 541.33 | J/mol×K | 822.08 | Joback Calculated Property |
| Cp,gas | 551.86 | J/mol×K | 858.40 | Joback Calculated Property |
| Cp,gas | 561.47 | J/mol×K | 894.72 | Joback Calculated Property |
| Cp,gas | 570.16 | J/mol×K | 931.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diflunisal di-methyl derivative.
Sources
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