- InChI
- InChI=1S/C20H26F2O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-24-20(23)19-17(21)14-13-15-18(19)22/h13-15H,2-10,16H2,1H3
- InChI Key
- DAUUIJNEUYPKOC-UHFFFAOYSA-N
- Formula
- C20H26F2O2
- SMILES
-
CCCCCCCCCCC#CCOC(=O)c1c(F)cccc
1F - Molecular Weight1
- 336.42
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -210.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -607.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.39 | kJ/mol | Joback Calculated Property |
| log10WS | -7.20 | Crippen Calculated Property | |
| logPoct/wat | 5.656 | Crippen Calculated Property | |
| McVol | 271.280 | ml/mol | McGowan Calculated Property |
| Pc | 1350.65 | kPa | Joback Calculated Property |
| Inp | 2307.00 | NIST | |
| Tboil | 777.47 | K | Joback Calculated Property |
| Tc | 972.24 | K | Joback Calculated Property |
| Tfus | 546.06 | K | Joback Calculated Property |
| Vc | 1.069 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [793.02; 877.60] | J/mol×K | [777.47; 972.24] | 
|
| Cp,gas | 793.02 | J/mol×K | 777.47 | Joback Calculated Property |
| Cp,gas | 809.45 | J/mol×K | 809.93 | Joback Calculated Property |
| Cp,gas | 824.91 | J/mol×K | 842.39 | Joback Calculated Property |
| Cp,gas | 839.43 | J/mol×K | 874.85 | Joback Calculated Property |
| Cp,gas | 853.03 | J/mol×K | 907.31 | Joback Calculated Property |
| Cp,gas | 865.75 | J/mol×K | 939.78 | Joback Calculated Property |
| Cp,gas | 877.60 | J/mol×K | 972.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Difluorobenzoic acid, tridec-2-ynyl ester.
Sources
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