Chemical Properties of m-anisic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester

m-anisic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester

InChI
InChI=1S/C19H24O3/c1-6-8-15(4)18(12-11-14(2)3)22-19(20)16-9-7-10-17(13-16)21-5/h7,9-10,13,15,18H,2,6,8H2,1,3-5H3
InChI Key
UFUDEWWCCJOFQT-UHFFFAOYSA-N
Formula
C19H24O3
SMILES
C=C(C)C#CC(OC(=O)c1cccc(OC)c1)C(C)CCC
Molecular Weight1
300.40
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Physical Properties

Property Value Unit Source
ΔfusH° 37.66 kJ/mol Joback Calculated Property
IE 8.33 eV Relay (1.0) Calculated Property
logPoct/wat 4.236 Crippen Calculated Property
McVol 255.220 ml/mol McGowan Calculated Property
Inp 2092.50 NIST
Tboil 609.14 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [358.40; 815.77] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A2.84320e+01
Coefficient B1.39438e+00
Coefficient C-7.07820e-04
Coefficient D1.00780e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 358.40 J/mol×K 273.00 Calculated Property
Cp,gas 437.61 J/mol×K 353.78 Calculated Property
Cp,gas 508.97 J/mol×K 434.56 Calculated Property
Cp,gas 572.82 J/mol×K 515.33 Calculated Property
Cp,gas 629.46 J/mol×K 596.11 Calculated Property
Cp,gas 679.22 J/mol×K 676.89 Calculated Property
Cp,gas 722.41 J/mol×K 757.67 Calculated Property
Cp,gas 759.35 J/mol×K 838.44 Calculated Property
Cp,gas 790.37 J/mol×K 919.22 Calculated Property
Cp,gas 815.77 J/mol×K 1000.00 Calculated Property

Similar Compounds

o-Anisic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. p-Anisic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. p-Toluic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-Cyanobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Isophthalic acid, di(2,6-dimethylnon-1-en-3-yn-5-yl) ester. Isophthalic acid, 2,6-dimethylnon-1-en-3-yn-5-yl pentyl ester. Isophthalic acid, butyl 2,6-dimethylnon-1-en-3-yn-5-yl ester. 1-Naphthoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 2-Chlorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-Bromobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Isophthalic acid, 2,6-dimethylnon-1-en-3-yn-5-yl propyl ester. m-Toluic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 3-Fluorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 2-Bromobenzoic acid, 2,6-dimethylnon-1-en--3-yn-5-yl ester. Isophthalic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ethyl ester.

Find more compounds similar to m-anisic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester.

Sources

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