- InChI
- InChI=1S/C22H16F10O4/c23-11-13(25)17(29)21(18(30)14(11)26)35-9(33)7-5-3-1-2-4-6-8-10(34)36-22-19(31)15(27)12(24)16(28)20(22)32/h1-8H2
- InChI Key
- DGAJTTIRRZZDGA-UHFFFAOYSA-N
- Formula
- C22H16F10O4
- SMILES
-
O=C(CCCCCCCCC(=O)Oc1c(F)c(F)c(
F)c(F)c1F)Oc1c(F)c(F)c(F)c(F)c 1F - Molecular Weight1
- 534.34
- 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° | -2153.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2589.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 73.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.88 | kJ/mol | Joback Calculated Property |
| log10WS | -9.58 | Crippen Calculated Property | |
| logPoct/wat | 6.709 | Crippen Calculated Property | |
| McVol | 305.900 | ml/mol | McGowan Calculated Property |
| Pc | 991.38 | kPa | Joback Calculated Property |
| Inp | 2411.00 | NIST | |
| Tboil | 951.20 | K | Joback Calculated Property |
| Tc | 1169.85 | K | Joback Calculated Property |
| Tfus | 665.96 | K | Joback Calculated Property |
| Vc | 1.280 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [957.69; 1004.91] | J/mol×K | [951.20; 1169.85] | 
|
| Cp,gas | 957.69 | J/mol×K | 951.20 | Joback Calculated Property |
| Cp,gas | 969.08 | J/mol×K | 987.64 | Joback Calculated Property |
| Cp,gas | 979.06 | J/mol×K | 1024.08 | Joback Calculated Property |
| Cp,gas | 987.64 | J/mol×K | 1060.52 | Joback Calculated Property |
| Cp,gas | 994.81 | J/mol×K | 1096.96 | Joback Calculated Property |
| Cp,gas | 1000.57 | J/mol×K | 1133.41 | Joback Calculated Property |
| Cp,gas | 1004.91 | J/mol×K | 1169.85 | Joback Calculated Property |
Similar Compounds
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Sources
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