Chemical Properties of 4-Cyanobenzoic acid, 2-methyloct-5-yn-4-yl ester

4-Cyanobenzoic acid, 2-methyloct-5-yn-4-yl ester

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InChI
InChI=1S/C17H19NO2/c1-4-5-6-16(11-13(2)3)20-17(19)15-9-7-14(12-18)8-10-15/h7-10,13,16H,4,11H2,1-3H3
InChI Key
MOIOXTMHXLNGKS-UHFFFAOYSA-N
Formula
C17H19NO2
SMILES
CCC#CC(CC(C)C)OC(=O)c1ccc(C#N)cc1
Molecular Weight1
269.34
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Physical Properties

Property Value Unit Source
Δf 292.22 kJ/mol Joback Calculated Property
Δfgas 12.67 kJ/mol Joback Calculated Property
Δfus 33.81 kJ/mol Joback Calculated Property
Δvap 77.38 kJ/mol Joback Calculated Property
log10WS -5.08 Crippen Calculated Property
logPoct/wat 3.543 Crippen Calculated Property
McVol 226.850 ml/mol McGowan Calculated Property
Pc 1830.98 kPa Joback Calculated Property
Inp [1953.00; 1953.00]   Show Hide
Inp 1953.00 NIST
Inp 1953.00 NIST
Tboil 806.51 K Joback Calculated Property
Tc 1038.13 K Joback Calculated Property
Tfus 533.54 K Joback Calculated Property
Vc 0.879 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [638.22; 707.73] J/mol×K [806.51; 1038.13] Show Hide
Cp,gas 638.22 J/mol×K 806.51 Joback Calculated Property
Cp,gas 652.42 J/mol×K 845.11 Joback Calculated Property
Cp,gas 665.53 J/mol×K 883.72 Joback Calculated Property
Cp,gas 677.58 J/mol×K 922.32 Joback Calculated Property
Cp,gas 688.61 J/mol×K 960.92 Joback Calculated Property
Cp,gas 698.65 J/mol×K 999.53 Joback Calculated Property
Cp,gas 707.73 J/mol×K 1038.13 Joback Calculated Property

Similar Compounds

p-Toluic acid, 2-methyloct-5-yn-4-yl ester. 4-Cyanobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 4-(Trifluoromethyl)benzoic acid, 2-methyloct-5-yn-4-yl ester. 4-Bromobenzoic acid, 2-methyloct-5-yn-4-yl ester. Isophthalic acid, di(2-methyloct-5-yn-4-yl) ester. Isophthalic acid, ethyl 2-methyloct-5-yn-4-yl ester. 4-Fluorobenzoic acid, 2-methyloct-5-yn-4-yl ester. 4-Chlorobenzoic acid, 2-methyloct-5-yn-4-yl ester. Isophthalic acid, butyl 2-methyloct-5-yn-4-yl ester. 3-Bromobenzoic acid, 2-methyloct-5-yn-4-yl ester. Isophthalic acid, isobutyl 2-methyloct-5-yn-4-yl ester. Isophthalic acid, 2-methyloct-5-yn-4-yl propyl ester. 2-Chlorobenzoic acid, 2-methyloct-5-yn-4-yl ester. 2-Bromobenzoic acid, 2-methyloct-5-yn-4-yl ester. Isophthalic acid, 2-methyloct-5-yn-4-yl pentyl ester.

Find more compounds similar to 4-Cyanobenzoic acid, 2-methyloct-5-yn-4-yl ester.

Sources

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