Chemical Properties of 4-Fluorobenzoic acid, but-3-yn-2-yl ester

4-Fluorobenzoic acid, but-3-yn-2-yl ester

InChI
InChI=1S/C11H9FO2/c1-3-8(2)14-11(13)9-4-6-10(12)7-5-9/h1,4-8H,2H3
InChI Key
JWIYMLRDJAOLLJ-UHFFFAOYSA-N
Formula
C11H9FO2
SMILES
C#CC(C)OC(=O)c1ccc(F)cc1
Molecular Weight1
192.19
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Physical Properties

Property Value Unit Source
ΔfusH° 23.22 kJ/mol Joback Calculated Property
IE 9.48 eV Relay (1.0) Calculated Property
logPoct/wat 2.004 Crippen Calculated Property
McVol 142.700 ml/mol McGowan Calculated Property
Inp [1251.00; 1251.00]   Show Hide
Inp 1251.00 NIST
Inp 1251.00 NIST
Tboil 499.85 K Relay (1.0) Calculated Property
Tfus 289.18 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [317.15; 380.53] J/mol×K [547.98; 767.04] Show Hide
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

3-Fluorobenzoic acid, but-3-yn-2-yl ester. 2-Fluorobenzoic acid, but-3-yn-2-yl ester. 4-(Trifluoromethyl)benzoic acid, but-3-yn-2-yl ester. 4-Chlorobenzoic acid, but-3-yn-2-yl ester. Isophthalic acid, di(but-3-yn-2-yl) ester. 4-Bromobenzoic acid, but-3-yn-2-yl ester. p-Toluic acid, but-3-yn-2-yl ester. Benzoic acid, 4-fluoro-, ethyl ester. 2,3,4-trifluorobenzoic acid, but-3-yn-2-yl ester. 3,4-Difluorobenzoic acid, isopropyl ester. 2,4-Difluorobenzoic acid, isopropyl ester. 3-Trifluoromethylbenzoic acid, but-3-yn-2-yl ester. 4-Fluorobenzoic acid, hex-4-yn-3-yl ester. 4-Nitrobenzoic acid, but-3-yn-2-yl ester. 3-Bromobenzoic acid, but-3-yn-2-yl ester.

Find more compounds similar to 4-Fluorobenzoic acid, but-3-yn-2-yl ester.

Sources

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