Chemical Properties of m-Anisic acid, hex-4-yn-3-yl ester

m-Anisic acid, hex-4-yn-3-yl ester

InChI
InChI=1S/C14H16O3/c1-4-7-12(5-2)17-14(15)11-8-6-9-13(10-11)16-3/h6,8-10,12H,5H2,1-3H3
InChI Key
BRKFXYDZNLLXEI-UHFFFAOYSA-N
Formula
C14H16O3
SMILES
CC#CC(CC)OC(=O)c1cccc(OC)c1
Molecular Weight1
232.28
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Physical Properties

Property Value Unit Source
ΔfH°gas -252.82 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 30.82 kJ/mol Joback Calculated Property
ΔvapH° 83.51 kJ/mol Relay (1.0) Calculated Property
IE 8.49 eV Relay (1.0) Calculated Property
logPoct/wat 2.654 Crippen Calculated Property
McVol 189.070 ml/mol McGowan Calculated Property
Inp [1793.40; 1793.40]   Show Hide
Inp 1793.40 NIST
Inp 1793.40 NIST
Tboil 571.33 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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 [474.20; 554.44] J/mol×K [640.78; 864.28] Show Hide
Cp,gas 474.20 J/mol×K 640.78 Joback Calculated Property
Cp,gas 490.06 J/mol×K 678.03 Joback Calculated Property
Cp,gas 504.91 J/mol×K 715.28 Joback Calculated Property
Cp,gas 518.77 J/mol×K 752.53 Joback Calculated Property
Cp,gas 531.64 J/mol×K 789.78 Joback Calculated Property
Cp,gas 543.53 J/mol×K 827.03 Joback Calculated Property
Cp,gas 554.44 J/mol×K 864.28 Joback Calculated Property

Similar Compounds

o-Anisic acid, hex-4-yn-3-yl ester. p-Anisic acid, hex-4-yn-3-yl ester. m-Anisic acid, 2-methyloct-5-yn-4-yl ester. Benzoic acid, 3-methoxy-, 1-methylpropyl ester. m-anisic acid, cyclobutyl ester. Isophthalic acid, di(hex-4-yn-3-yl) ester. Isophthalic acid, hex-4-yn-3-yl propyl ester. Isophthalic acid, ethyl hex-4-yn-3-yl ester. Isophthalic acid, butyl hex-4-yn-3-yl ester. 1-Naphthoic acid, hex-4-yn-3-yl ester. m-Anisic acid, but-3-yn-2-yl ester. 2-Chlorobenzoic acid, hex-4-yn-3-yl ester. 4-Chlorobenzoic acid, hex-4-yn-3-yl ester. o-anisic acid, 2-methyloct-5-yn-4-yl ester. Isophthalic acid, hex-4-yn-3-yl isobutyl ester.

Find more compounds similar to m-Anisic acid, hex-4-yn-3-yl ester.

Sources

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