- InChI
- InChI=1S/C17H10F2O2/c18-14-6-3-7-15(19)16(14)17(20)21-13-9-8-11-4-1-2-5-12(11)10-13/h1-10H
- InChI Key
- PMPDADBYVZJXAX-UHFFFAOYSA-N
- Formula
- C17H10F2O2
- SMILES
-
O=C(Oc1ccc2ccccc2c1)c1c(F)cccc
1F - Molecular Weight1
- 284.26
- 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 | 0.6727 | Relay (... Calculated Property | |
| ΔfG° | -228.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -432.97 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 32.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.14 | kJ/mol | Relay (... Calculated Property |
| IE | 8.10 | eV | Relay (... Calculated Property |
| log10WS | -6.16 | Relay (... Calculated Property | |
| logPoct/wat | 4.337 | Crippen Calculated Property | |
| McVol | 194.390 | ml/mol | McGowan Calculated Property |
| Pc | 2421.88 | kPa | Joback Calculated Property |
| Inp | [2174.00; 2174.00] |
|
|
| Inp | 2174.00 | NIST | |
| Inp | 2174.00 | NIST | |
| Tboil | 647.35 | K | Relay (... Calculated Property |
| Tc | 952.58 | K | Relay (... Calculated Property |
| Tfus | 370.25 | K | Relay (... Calculated Property |
| Vc | 0.719 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [516.13; 578.53] | J/mol×K | [750.47; 987.06] |
|
| Cp,gas | 516.13 | J/mol×K | 750.47 | Joback Calculated Property |
| Cp,gas | 528.91 | J/mol×K | 789.90 | Joback Calculated Property |
| Cp,gas | 540.65 | J/mol×K | 829.33 | Joback Calculated Property |
| Cp,gas | 551.41 | J/mol×K | 868.77 | Joback Calculated Property |
| Cp,gas | 561.26 | J/mol×K | 908.20 | Joback Calculated Property |
| Cp,gas | 570.27 | J/mol×K | 947.63 | Joback Calculated Property |
| Cp,gas | 578.53 | J/mol×K | 987.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Difluorobenzoic acid, 2-naphthyl ester.
Sources
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