- InChI
- InChI=1S/C21H32F2O2/c1-3-5-6-7-8-9-10-11-12-13-18(4-2)25-21(24)19-15-14-17(22)16-20(19)23/h14-16,18H,3-13H2,1-2H3
- InChI Key
- RNUDQGRHTSIVHK-UHFFFAOYSA-N
- Formula
- C21H32F2O2
- SMILES
-
CCCCCCCCCCCC(CC)OC(=O)c1ccc(F)
cc1F - Molecular Weight1
- 354.47
- 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 | 0.9464 | Relay (... Calculated Property | |
| ΔfG° | -406.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -932.64 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 48.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.49 | kJ/mol | Relay (... Calculated Property |
| IE | 9.28 | eV | Relay (... Calculated Property |
| log10WS | -7.29 | Relay (... Calculated Property | |
| logPoct/wat | 6.821 | Crippen Calculated Property | |
| McVol | 293.970 | ml/mol | McGowan Calculated Property |
| Pc | 1134.43 | kPa | Joback Calculated Property |
| Inp | [2254.00; 2254.00] |
|
|
| Inp | 2254.00 | NIST | |
| Inp | 2254.00 | NIST | |
| Tboil | 618.68 | K | Relay (... Calculated Property |
| Tc | 806.68 | K | Relay (... Calculated Property |
| Tfus | 282.23 | K | Relay (... Calculated Property |
| Vc | 1.107 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [900.46; 991.40] | J/mol×K | [790.91; 977.04] |
|
| Cp,gas | 900.46 | J/mol×K | 790.91 | Joback Calculated Property |
| Cp,gas | 918.04 | J/mol×K | 821.93 | Joback Calculated Property |
| Cp,gas | 934.61 | J/mol×K | 852.95 | Joback Calculated Property |
| Cp,gas | 950.21 | J/mol×K | 883.98 | Joback Calculated Property |
| Cp,gas | 964.85 | J/mol×K | 915.00 | Joback Calculated Property |
| Cp,gas | 978.57 | J/mol×K | 946.02 | Joback Calculated Property |
| Cp,gas | 991.40 | J/mol×K | 977.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Difluorobenzoic acid, 3-tetradecyl ester.
Sources
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