- InChI
- InChI=1S/C17H20F8O4/c18-14(19)16(22,23)17(24,25)15(20,21)10-29-13(27)8-4-7-12(26)28-9-11-5-2-1-3-6-11/h1-2,11,14H,3-10H2
- InChI Key
- ZZTNROWWVMEVTL-UHFFFAOYSA-N
- Formula
- C17H20F8O4
- SMILES
-
O=C(CCCC(=O)OCC(F)(F)C(F)(F)C(
F)(F)C(F)F)OCC1CC=CCC1 - Molecular Weight1
- 440.33
- 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 | 0.7946 | Relay (... Calculated Property | |
| ΔfG° | -1873.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2438.36 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 37.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.83 | kJ/mol | Relay (... Calculated Property |
| IE | 9.35 | eV | Relay (... Calculated Property |
| log10WS | -5.53 | Relay (... Calculated Property | |
| logPoct/wat | 4.770 | Crippen Calculated Property | |
| McVol | 264.270 | ml/mol | McGowan Calculated Property |
| Pc | 1264.65 | kPa | Joback Calculated Property |
| Inp | [1908.00; 1908.00] |
|
|
| Inp | 1908.00 | NIST | |
| Inp | 1908.00 | NIST | |
| Tboil | 609.56 | K | Relay (... Calculated Property |
| Tc | 741.11 | K | Relay (... Calculated Property |
| Tfus | 303.34 | K | Relay (... Calculated Property |
| Vc | 0.979 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [828.30; 902.67] | J/mol×K | [743.68; 920.54] |
|
| Cp,gas | 828.30 | J/mol×K | 743.68 | Joback Calculated Property |
| Cp,gas | 843.04 | J/mol×K | 773.16 | Joback Calculated Property |
| Cp,gas | 856.76 | J/mol×K | 802.63 | Joback Calculated Property |
| Cp,gas | 869.54 | J/mol×K | 832.11 | Joback Calculated Property |
| Cp,gas | 881.41 | J/mol×K | 861.58 | Joback Calculated Property |
| Cp,gas | 892.44 | J/mol×K | 891.06 | Joback Calculated Property |
| Cp,gas | 902.67 | J/mol×K | 920.54 | Joback Calculated Property |
Similar Compounds
Sources
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