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

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

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InChI
InChI=1S/C18H22O3/c1-13(2)6-9-17(12-14(3)4)21-18(19)15-7-10-16(20-5)11-8-15/h7-8,10-11,14,17H,1,12H2,2-5H3
InChI Key
BNVUAFGNMYVRML-UHFFFAOYSA-N
Formula
C18H22O3
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)c1ccc(OC)cc1
Molecular Weight1
286.37
Sources

Physical Properties

Property Value Unit Source
Δf 141.75 kJ/mol Joback Calculated Property
Δfgas -189.43 kJ/mol Joback Calculated Property
Δfus 33.49 kJ/mol Joback Calculated Property
Δvap 70.95 kJ/mol Joback Calculated Property
logPoct/wat 3.85 Crippen Calculated Property
Pc 1768.38 kPa Joback Calculated Property
Tboil 746.29 K Joback Calculated Property
Tc 968.15 K Joback Calculated Property
Tfus 486.33 K Joback Calculated Property
Vc 0.91 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 669.11 J/mol×K 746.29 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>CH- 2
=C< 1
=CH- (ring) 4
=CH2 1
#C- 2
=C< (ring) 2
-CH2- 1
-CH3 4
>C=O (nonring) 1

Similar Compounds

P-anisic acid, 2-methyloct-5-yn-4-yl ester. P-anisic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. P-anisic acid, hex-4-yn-3-yl ester. 4-Bromobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 4-Ethylbenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 4-Cyanobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 4-Fluorobenzoic 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 ethyl 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 propyl ester. o-Anisic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 4-(Trifluoromethyl)benzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl isohexyl ester. Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl pentyl ester.

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