Chemical Properties of 4-Cyanobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester

4-Cyanobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester

InChI
InChI=1S/C18H19NO2/c1-13(2)5-10-17(11-14(3)4)21-18(20)16-8-6-15(12-19)7-9-16/h6-9,14,17H,1,11H2,2-4H3
InChI Key
NUJGCPSYGPBEBN-UHFFFAOYSA-N
Formula
C18H19NO2
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)c1ccc(C#N)cc1
Molecular Weight1
281.35
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Physical Properties

Property Value Unit Source
ΔfusH° 33.81 kJ/mol Joback Calculated Property
IE 9.37 eV Relay (1.0) Calculated Property
logPoct/wat 3.709 Crippen Calculated Property
McVol 236.640 ml/mol McGowan Calculated Property
Inp 2005.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [667.00; 736.08] J/mol×K [825.95; 1060.94] Show Hide
Cp,gas 667.00 J/mol×K 825.95 Joback Calculated Property
Cp,gas 681.11 J/mol×K 865.11 Joback Calculated Property
Cp,gas 694.12 J/mol×K 904.28 Joback Calculated Property
Cp,gas 706.08 J/mol×K 943.44 Joback Calculated Property
Cp,gas 717.02 J/mol×K 982.61 Joback Calculated Property
Cp,gas 727.01 J/mol×K 1021.77 Joback Calculated Property
Cp,gas 736.08 J/mol×K 1060.94 Joback Calculated Property

Similar Compounds

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

Find more compounds similar to 4-Cyanobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester.

Sources

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