- InChI
- InChI=1S/C17H24F2O2/c1-2-3-4-5-6-7-8-9-12-21-17(20)14-10-11-15(18)16(19)13-14/h10-11,13H,2-9,12H2,1H3
- InChI Key
- BQPUIPCCEZZZAU-UHFFFAOYSA-N
- Formula
- C17H24F2O2
- SMILES
- CCCCCCCCCCOC(=O)c1ccc(F)c(F)c1
- Molecular Weight1
- 298.37
- 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 | 0.8598 | Relay (... Calculated Property | |
| ΔfG° | -438.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -833.61 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 42.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.30 | kJ/mol | Relay (... Calculated Property |
| IE | 9.34 | eV | Relay (... Calculated Property |
| log10WS | -6.47 | Relay (... Calculated Property | |
| logPoct/wat | 5.262 | Crippen Calculated Property | |
| McVol | 237.610 | ml/mol | McGowan Calculated Property |
| Pc | 1487.29 | kPa | Joback Calculated Property |
| Inp | [1957.00; 1957.00] |
|
|
| Inp | 1957.00 | NIST | |
| Inp | 1957.00 | NIST | |
| Tboil | 585.22 | K | Relay (... Calculated Property |
| Tc | 773.36 | K | Relay (... Calculated Property |
| Tfus | 284.69 | K | Relay (... Calculated Property |
| Vc | 0.904 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [669.96; 753.76] | J/mol×K | [699.83; 882.34] |
|
| Cp,gas | 669.96 | J/mol×K | 699.83 | Joback Calculated Property |
| Cp,gas | 685.95 | J/mol×K | 730.25 | Joback Calculated Property |
| Cp,gas | 701.10 | J/mol×K | 760.67 | Joback Calculated Property |
| Cp,gas | 715.44 | J/mol×K | 791.09 | Joback Calculated Property |
| Cp,gas | 728.99 | J/mol×K | 821.50 | Joback Calculated Property |
| Cp,gas | 741.75 | J/mol×K | 851.92 | Joback Calculated Property |
| Cp,gas | 753.76 | J/mol×K | 882.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Difluorobenzoic acid, decyl ester.
Sources
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