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

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

InChI
InChI=1S/C13H13FO2/c1-3-7-10(4-2)16-13(15)11-8-5-6-9-12(11)14/h5-6,8-10H,4H2,1-2H3
InChI Key
QOVPBZHWPOQSDK-UHFFFAOYSA-N
Formula
C13H13FO2
SMILES
CC#CC(CC)OC(=O)c1ccccc1F
Molecular Weight1
220.24
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Physical Properties

Property Value Unit Source
ΔfH°gas -322.93 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 30.13 kJ/mol Joback Calculated Property
ΔvapH° 75.79 kJ/mol Relay (1.0) Calculated Property
log10WS -3.79 Relay (1.0) Calculated Property
logPoct/wat 2.784 Crippen Calculated Property
McVol 170.880 ml/mol McGowan Calculated Property
Pc 2445.89 kPa Joback Calculated Property
Inp 1537.00 NIST
Tboil 522.27 K Relay (1.0) Calculated Property
Tfus 283.71 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 [407.18; 482.63] J/mol×K [594.75; 814.58] Show Hide
Cp,gas 407.18 J/mol×K 594.75 Joback Calculated Property
Cp,gas 422.01 J/mol×K 631.39 Joback Calculated Property
Cp,gas 435.91 J/mol×K 668.03 Joback Calculated Property
Cp,gas 448.90 J/mol×K 704.66 Joback Calculated Property
Cp,gas 461.00 J/mol×K 741.30 Joback Calculated Property
Cp,gas 472.24 J/mol×K 777.94 Joback Calculated Property
Cp,gas 482.63 J/mol×K 814.58 Joback Calculated Property

Similar Compounds

3-Fluorobenzoic acid, hex-4-yn-3-yl ester. 2,6-Difluorobenzoic acid, hex-4-yn-3-yl ester. 2,3,4-trifluorobenzoic acid, hex-4-yn-3-yl ester. 4-Fluorobenzoic acid, hex-4-yn-3-yl ester. 2-Fluorobenzoic acid, 2-methyloct-5-yn-4-yl ester. Isophthalic acid, di(hex-4-yn-3-yl) ester. 4-Cyanobenzoic acid, hex-4-yn-3-yl ester. Isophthalic acid, hex-4-yn-3-yl propyl ester. Isophthalic acid, ethyl hex-4-yn-3-yl ester. 1-Naphthoic acid, hex-4-yn-3-yl ester. Isophthalic acid, hex-4-yn-3-yl isobutyl ester. p-Toluic acid, hex-4-yn-3-yl ester. 3-Bromobenzoic acid, hex-4-yn-3-yl ester. 2-Fluorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 4-(Trifluoromethyl)benzoic acid, hex-4-yn-3-yl ester.

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

Sources

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