- InChI
- InChI=1S/C21H32F2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-25-21(24)20-18(22)15-14-16-19(20)23/h14-16H,2-13,17H2,1H3
- InChI Key
- SEYZWCCBZJSSFM-UHFFFAOYSA-N
- Formula
- C21H32F2O2
- SMILES
-
CCCCCCCCCCCCCCOC(=O)c1c(F)cccc
1F - 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 | 0.9973 | Relay (1.0) Calculated Property | |
| ΔfG° | -404.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -898.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.823 | Crippen Calculated Property | |
| McVol | 293.970 | ml/mol | McGowan Calculated Property |
| Pc | 1128.35 | kPa | Joback Calculated Property |
| Inp | [2310.60; 2310.60] |
|
|
| Inp | 2310.60 | NIST | |
| Inp | 2310.60 | NIST | |
| Tboil | 618.01 | K | Relay (1.0) Calculated Property |
| Tc | 819.84 | K | Relay (1.0) Calculated Property |
| Tfus | 300.51 | K | Relay (1.0) Calculated Property |
| Vc | 1.124 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [899.96; 990.46] | J/mol×K | [791.35; 976.14] |
|
| Cp,gas | 899.96 | J/mol×K | 791.35 | Joback Calculated Property |
| Cp,gas | 917.42 | J/mol×K | 822.15 | Joback Calculated Property |
| Cp,gas | 933.88 | J/mol×K | 852.95 | Joback Calculated Property |
| Cp,gas | 949.39 | J/mol×K | 883.75 | Joback Calculated Property |
| Cp,gas | 963.97 | J/mol×K | 914.55 | Joback Calculated Property |
| Cp,gas | 977.65 | J/mol×K | 945.34 | Joback Calculated Property |
| Cp,gas | 990.46 | J/mol×K | 976.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Difluorobenzoic acid, tetradecyl ester.
Sources
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