- InChI
- InChI=1S/C15H12F4O2/c16-14(17)15(18,19)9-21-13(20)8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,14H,8-9H2
- InChI Key
- BNRXXMNOZGOCRS-UHFFFAOYSA-N
- Formula
- C15H12F4O2
- SMILES
-
O=C(Cc1cccc2ccccc12)OCC(F)(F)C
(F)F - Molecular Weight1
- 300.25
- 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 | 0.6292 | Relay (1.0) Calculated Property | |
| ΔfG° | -727.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1054.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.826 | Crippen Calculated Property | |
| McVol | 193.510 | ml/mol | McGowan Calculated Property |
| Pc | 2058.62 | kPa | Joback Calculated Property |
| Inp | 2159.00 | NIST | |
| Tboil | 605.04 | K | Relay (1.0) Calculated Property |
| Tc | 822.66 | K | Relay (1.0) Calculated Property |
| Tfus | 340.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.703 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [520.45; 587.15] | J/mol×K | [662.94; 863.79] | 
|
| Cp,gas | 520.45 | J/mol×K | 662.94 | Joback Calculated Property |
| Cp,gas | 533.72 | J/mol×K | 696.42 | Joback Calculated Property |
| Cp,gas | 546.04 | J/mol×K | 729.89 | Joback Calculated Property |
| Cp,gas | 557.49 | J/mol×K | 763.37 | Joback Calculated Property |
| Cp,gas | 568.11 | J/mol×K | 796.84 | Joback Calculated Property |
| Cp,gas | 577.98 | J/mol×K | 830.32 | Joback Calculated Property |
| Cp,gas | 587.15 | J/mol×K | 863.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Naphthaleneacetic acid, 2,2,3,3-tetrafluoropropyl ester.
Sources
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