- InChI
- InChI=1S/C16H4F10O4/c17-5-3(6(18)10(22)13(25)9(5)21)15(27)29-1-2-30-16(28)4-7(19)11(23)14(26)12(24)8(4)20/h1-2H2
- InChI Key
- CLENQEKBQNRCIV-UHFFFAOYSA-N
- Formula
- C16H4F10O4
- SMILES
-
O=C(OCCOC(=O)c1c(F)c(F)c(F)c(F
)c1F)c1c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 450.18
- 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° | -2203.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2465.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.52 | kJ/mol | Joback Calculated Property |
| log10WS | -6.92 | Crippen Calculated Property | |
| logPoct/wat | 4.091 | Crippen Calculated Property | |
| McVol | 221.360 | ml/mol | McGowan Calculated Property |
| Pc | 1479.29 | kPa | Joback Calculated Property |
| Inp | 1844.00 | NIST | |
| Tboil | 813.92 | K | Joback Calculated Property |
| Tc | 999.84 | K | Joback Calculated Property |
| Tfus | 598.34 | K | Joback Calculated Property |
| Vc | 0.944 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [621.62; 663.05] | J/mol×K | [813.92; 999.84] | 
|
| Cp,gas | 621.62 | J/mol×K | 813.92 | Joback Calculated Property |
| Cp,gas | 630.36 | J/mol×K | 844.91 | Joback Calculated Property |
| Cp,gas | 638.40 | J/mol×K | 875.89 | Joback Calculated Property |
| Cp,gas | 645.70 | J/mol×K | 906.88 | Joback Calculated Property |
| Cp,gas | 652.25 | J/mol×K | 937.87 | Joback Calculated Property |
| Cp,gas | 658.04 | J/mol×K | 968.85 | Joback Calculated Property |
| Cp,gas | 663.05 | J/mol×K | 999.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethane-1,2-diyl bis(2,3,4,5,6-pentafluorobenzoate).
Sources
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