- InChI
- InChI=1S/C17H12F8O2/c18-14(19)16(22,23)17(24,25)15(20,21)9-27-13(26)8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,14H,8-9H2
- InChI Key
- UBEWWVLWMHFPJV-UHFFFAOYSA-N
- Formula
- C17H12F8O2
- SMILES
-
O=C(Cc1cccc2ccccc12)OCC(F)(F)C
(F)(F)C(F)(F)C(F)F - Molecular Weight1
- 400.26
- 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 | 0.7072 | Relay (... Calculated Property | |
| ΔfG° | -1484.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1891.48 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 32.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.79 | kJ/mol | Relay (... Calculated Property |
| IE | 8.40 | eV | Relay (... Calculated Property |
| log10WS | -6.08 | Relay (... Calculated Property | |
| logPoct/wat | 5.097 | Crippen Calculated Property | |
| McVol | 228.770 | ml/mol | McGowan Calculated Property |
| Pc | 1552.45 | kPa | Joback Calculated Property |
| Inp | [2284.00; 2284.00] |
|
|
| Inp | 2284.00 | NIST | |
| Inp | 2284.00 | NIST | |
| Tboil | 626.19 | K | Relay (... Calculated Property |
| Tc | 824.42 | K | Relay (... Calculated Property |
| Tfus | 331.88 | K | Relay (... Calculated Property |
| Vc | 0.848 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [661.91; 724.93] | J/mol×K | [699.32; 885.43] |
|
| Cp,gas | 661.91 | J/mol×K | 699.32 | Joback Calculated Property |
| Cp,gas | 674.51 | J/mol×K | 730.34 | Joback Calculated Property |
| Cp,gas | 686.16 | J/mol×K | 761.36 | Joback Calculated Property |
| Cp,gas | 696.94 | J/mol×K | 792.37 | Joback Calculated Property |
| Cp,gas | 706.94 | J/mol×K | 823.39 | Joback Calculated Property |
| Cp,gas | 716.24 | J/mol×K | 854.41 | Joback Calculated Property |
| Cp,gas | 724.93 | J/mol×K | 885.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Naphthaleneacetic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester.
Sources
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