- InChI
- InChI=1S/C15H20F2O2/c1-3-5-6-11(4-2)10-19-15(18)12-7-8-13(16)14(17)9-12/h7-9,11H,3-6,10H2,1-2H3
- InChI Key
- JWASMULRJNZYNO-UHFFFAOYSA-N
- Formula
- C15H20F2O2
- SMILES
- CCCCC(CC)COC(=O)c1ccc(F)c(F)c1
- Molecular Weight1
- 270.31
- 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 | 0.7114 | Relay (1.0) Calculated Property | |
| ΔfG° | -457.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -800.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.338 | Crippen Calculated Property | |
| McVol | 209.430 | ml/mol | McGowan Calculated Property |
| Pc | 1746.28 | kPa | Joback Calculated Property |
| Inp | [1676.00; 1676.00] |
|
|
| Inp | 1676.00 | NIST | |
| Inp | 1676.00 | NIST | |
| Tboil | 561.96 | K | Relay (1.0) Calculated Property |
| Tc | 746.90 | K | Relay (1.0) Calculated Property |
| Tfus | 225.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.758 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [562.18; 642.80] | J/mol×K | [653.63; 840.96] |
|
| Cp,gas | 562.18 | J/mol×K | 653.63 | Joback Calculated Property |
| Cp,gas | 577.57 | J/mol×K | 684.85 | Joback Calculated Property |
| Cp,gas | 592.15 | J/mol×K | 716.07 | Joback Calculated Property |
| Cp,gas | 605.95 | J/mol×K | 747.29 | Joback Calculated Property |
| Cp,gas | 618.98 | J/mol×K | 778.51 | Joback Calculated Property |
| Cp,gas | 631.26 | J/mol×K | 809.74 | Joback Calculated Property |
| Cp,gas | 642.80 | J/mol×K | 840.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Difluorobenzoic acid, 2-ethylhexyl ester.
Sources
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