- InChI
- InChI=1S/C16H14F16O4/c17-9(18)13(25,26)15(29,30)11(21,22)5-35-7(33)3-1-2-4-8(34)36-6-12(23,24)16(31,32)14(27,28)10(19)20/h9-10H,1-6H2
- InChI Key
- NJUJKXGBKIJBHG-UHFFFAOYSA-N
- Formula
- C16H14F16O4
- SMILES
-
O=C(CCCCC(=O)OCC(F)(F)C(F)(F)C
(F)(F)C(F)F)OCC(F)(F)C(F)(F)C( F)(F)C(F)F - Molecular Weight1
- 574.25
- 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 | 0.9369 | Relay (... Calculated Property | |
| ΔfG° | -3488.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -4060.78 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 40.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.26 | kJ/mol | Relay (... Calculated Property |
| IE | 10.49 | eV | Relay (... Calculated Property |
| log10WS | -7.56 | Relay (... Calculated Property | |
| logPoct/wat | 5.975 | Crippen Calculated Property | |
| McVol | 279.500 | ml/mol | McGowan Calculated Property |
| Pc | 945.58 | kPa | Joback Calculated Property |
| Inp | 1605.00 | NIST | |
| Tboil | 562.43 | K | Relay (... Calculated Property |
| Tc | 686.50 | K | Relay (... Calculated Property |
| Tfus | 358.24 | K | Relay (... Calculated Property |
| Vc | 1.115 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [873.57; 938.07] | J/mol×K | [686.12; 840.08] | 
|
| Cp,gas | 873.57 | J/mol×K | 686.12 | Joback Calculated Property |
| Cp,gas | 886.32 | J/mol×K | 711.78 | Joback Calculated Property |
| Cp,gas | 898.19 | J/mol×K | 737.44 | Joback Calculated Property |
| Cp,gas | 909.25 | J/mol×K | 763.10 | Joback Calculated Property |
| Cp,gas | 919.54 | J/mol×K | 788.76 | Joback Calculated Property |
| Cp,gas | 929.13 | J/mol×K | 814.42 | Joback Calculated Property |
| Cp,gas | 938.07 | J/mol×K | 840.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, di(2,2,3,3,4,4,5,5-octafluoropentyl) ester.
Sources
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