- InChI
- InChI=1S/C11H9FO2/c1-3-8(2)14-11(13)9-6-4-5-7-10(9)12/h1,4-8H,2H3
- InChI Key
- NETSIZKRMPIKBQ-UHFFFAOYSA-N
- Formula
- C11H9FO2
- SMILES
- C#CC(C)OC(=O)c1ccccc1F
- Molecular Weight1
- 192.19
- 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 | 0.4286 | Relay (1.0) Calculated Property | |
| ΔfG° | -63.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -294.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.004 | Crippen Calculated Property | |
| McVol | 142.700 | ml/mol | McGowan Calculated Property |
| Pc | 3082.99 | kPa | Joback Calculated Property |
| Inp | [1294.00; 1294.00] |
|
|
| Inp | 1294.00 | NIST | |
| Inp | 1294.00 | NIST | |
| Tboil | 492.35 | K | Relay (1.0) Calculated Property |
| Tc | 709.49 | K | Relay (1.0) Calculated Property |
| Tfus | 277.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.503 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [317.15; 380.53] | J/mol×K | [547.98; 767.04] |
|
| Cp,gas | 317.15 | J/mol×K | 547.98 | Joback Calculated Property |
| Cp,gas | 329.53 | J/mol×K | 584.49 | Joback Calculated Property |
| Cp,gas | 341.15 | J/mol×K | 621.00 | Joback Calculated Property |
| Cp,gas | 352.04 | J/mol×K | 657.51 | Joback Calculated Property |
| Cp,gas | 362.22 | J/mol×K | 694.02 | Joback Calculated Property |
| Cp,gas | 371.71 | J/mol×K | 730.53 | Joback Calculated Property |
| Cp,gas | 380.53 | J/mol×K | 767.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Fluorobenzoic acid, but-3-yn-2-yl ester.
Sources
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