- InChI
- InChI=1S/C16H22F2O2/c1-2-3-4-5-6-7-8-11-20-16(19)13-9-10-14(17)15(18)12-13/h9-10,12H,2-8,11H2,1H3
- InChI Key
- UVUHNOHCBCPVFP-UHFFFAOYSA-N
- Formula
- C16H22F2O2
- SMILES
- CCCCCCCCCOC(=O)c1ccc(F)c(F)c1
- Molecular Weight1
- 284.34
- 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 | 0.8222 | Relay (... Calculated Property | |
| ΔfG° | -446.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -813.27 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 39.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.84 | kJ/mol | Relay (... Calculated Property |
| IE | 9.32 | eV | Relay (... Calculated Property |
| log10WS | -6.17 | Relay (... Calculated Property | |
| logPoct/wat | 4.872 | Crippen Calculated Property | |
| McVol | 223.520 | ml/mol | McGowan Calculated Property |
| Pc | 1603.85 | kPa | Joback Calculated Property |
| Inp | [1855.00; 1855.00] |
|
|
| Inp | 1855.00 | NIST | |
| Inp | 1855.00 | NIST | |
| Tboil | 574.68 | K | Relay (... Calculated Property |
| Tc | 762.82 | K | Relay (... Calculated Property |
| Tfus | 279.66 | K | Relay (... Calculated Property |
| Vc | 0.849 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [615.21; 696.96] | J/mol×K | [676.95; 860.19] |
|
| Cp,gas | 615.21 | J/mol×K | 676.95 | Joback Calculated Property |
| Cp,gas | 630.78 | J/mol×K | 707.49 | Joback Calculated Property |
| Cp,gas | 645.55 | J/mol×K | 738.03 | Joback Calculated Property |
| Cp,gas | 659.53 | J/mol×K | 768.57 | Joback Calculated Property |
| Cp,gas | 672.75 | J/mol×K | 799.11 | Joback Calculated Property |
| Cp,gas | 685.22 | J/mol×K | 829.65 | Joback Calculated Property |
| Cp,gas | 696.96 | J/mol×K | 860.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Difluorobenzoic acid, nonyl ester.
Sources
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