- InChI
- InChI=1S/C13H16F2O2/c1-2-3-4-5-8-17-13(16)10-6-7-11(14)12(15)9-10/h6-7,9H,2-5,8H2,1H3
- InChI Key
- PAEJZHBPMSRUCT-UHFFFAOYSA-N
- Formula
- C13H16F2O2
- SMILES
- CCCCCCOC(=O)c1ccc(F)c(F)c1
- Molecular Weight1
- 242.26
- 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 | 0.6992 | Relay (... Calculated Property | |
| ΔfG° | -471.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -753.47 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 31.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.90 | kJ/mol | Relay (... Calculated Property |
| IE | 9.35 | eV | Relay (... Calculated Property |
| log10WS | -5.08 | Relay (... Calculated Property | |
| logPoct/wat | 3.702 | Crippen Calculated Property | |
| McVol | 181.250 | ml/mol | McGowan Calculated Property |
| Pc | 2049.31 | kPa | Joback Calculated Property |
| Inp | [1549.00; 1549.00] |
|
|
| Inp | 1549.00 | NIST | |
| Inp | 1549.00 | NIST | |
| Tboil | 536.67 | K | Relay (... Calculated Property |
| Tc | 727.79 | K | Relay (... Calculated Property |
| Tfus | 258.77 | K | Relay (... Calculated Property |
| Vc | 0.682 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [458.91; 532.72] | J/mol×K | [608.31; 796.03] |
|
| Cp,gas | 458.91 | J/mol×K | 608.31 | Joback Calculated Property |
| Cp,gas | 472.91 | J/mol×K | 639.60 | Joback Calculated Property |
| Cp,gas | 486.22 | J/mol×K | 670.88 | Joback Calculated Property |
| Cp,gas | 498.84 | J/mol×K | 702.17 | Joback Calculated Property |
| Cp,gas | 510.79 | J/mol×K | 733.46 | Joback Calculated Property |
| Cp,gas | 522.08 | J/mol×K | 764.74 | Joback Calculated Property |
| Cp,gas | 532.72 | J/mol×K | 796.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Difluorobenzoic acid, hexyl ester.
Sources
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