- InChI
- InChI=1S/C17H18F2O2/c1-11(2)8-9-13(10-12(3)4)21-17(20)16-14(18)6-5-7-15(16)19/h5-7,12-13H,1,10H2,2-4H3
- InChI Key
- HJVYDGWGOMWMLH-UHFFFAOYSA-N
- Formula
- C17H18F2O2
- SMILES
-
C=C(C)C#CC(CC(C)C)OC(=O)c1c(F)
cccc1F - Molecular Weight1
- 292.32
- 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 | 0.5736 | Relay (1.0) Calculated Property | |
| ΔfG° | -160.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -450.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.116 | Crippen Calculated Property | |
| McVol | 224.710 | ml/mol | McGowan Calculated Property |
| Pc | 1780.34 | kPa | Joback Calculated Property |
| Inp | [1777.80; 1777.80] |
|
|
| Inp | 1777.80 | NIST | |
| Inp | 1777.80 | NIST | |
| Tboil | 545.19 | K | Relay (1.0) Calculated Property |
| Tc | 770.29 | K | Relay (1.0) Calculated Property |
| Tfus | 296.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.792 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [601.69; 681.33] | J/mol×K | [704.51; 915.28] |
|
| Cp,gas | 601.69 | J/mol×K | 704.51 | Joback Calculated Property |
| Cp,gas | 617.30 | J/mol×K | 739.64 | Joback Calculated Property |
| Cp,gas | 631.93 | J/mol×K | 774.77 | Joback Calculated Property |
| Cp,gas | 645.62 | J/mol×K | 809.90 | Joback Calculated Property |
| Cp,gas | 658.40 | J/mol×K | 845.03 | Joback Calculated Property |
| Cp,gas | 670.29 | J/mol×K | 880.16 | Joback Calculated Property |
| Cp,gas | 681.33 | J/mol×K | 915.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Difluorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester.
Sources
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