- InChI
- InChI=1S/C18H25FO2/c1-2-3-4-5-6-7-8-9-10-14-21-18(20)16-12-11-13-17(19)15-16/h9-13,15H,2-8,14H2,1H3/b10-9+
- InChI Key
- QVEGBFFZRMKGIO-MDZDMXLPSA-N
- Formula
- C18H25FO2
- SMILES
- CCCCCCCCC=CCOC(=O)c1cccc(F)c1
- Molecular Weight1
- 292.39
- 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° | -145.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -513.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.90 | kJ/mol | Joback Calculated Property |
| log10WS | -6.09 | Crippen Calculated Property | |
| logPoct/wat | 5.289 | Crippen Calculated Property | |
| McVol | 245.630 | ml/mol | McGowan Calculated Property |
| Pc | 1505.81 | kPa | Joback Calculated Property |
| Inp | [2043.20; 2043.20] |
|
|
| Inp | 2043.20 | NIST | |
| Inp | 2043.20 | NIST | |
| Tboil | 722.62 | K | Joback Calculated Property |
| Tc | 914.85 | K | Joback Calculated Property |
| Tfus | 399.23 | K | Joback Calculated Property |
| Vc | 0.958 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [695.16; 781.28] | J/mol×K | [722.62; 914.85] |
|
| Cp,gas | 695.16 | J/mol×K | 722.62 | Joback Calculated Property |
| Cp,gas | 711.71 | J/mol×K | 754.66 | Joback Calculated Property |
| Cp,gas | 727.34 | J/mol×K | 786.70 | Joback Calculated Property |
| Cp,gas | 742.07 | J/mol×K | 818.74 | Joback Calculated Property |
| Cp,gas | 755.94 | J/mol×K | 850.77 | Joback Calculated Property |
| Cp,gas | 769.00 | J/mol×K | 882.81 | Joback Calculated Property |
| Cp,gas | 781.28 | J/mol×K | 914.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Fluorobenzoic acid, undec-2-enyl ester.
Sources
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