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

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

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InChI
InChI=1S/C15H26O2/c1-5-7-9-11-15(16)17-14(10-8-6-2)12-13(3)4/h13-14H,5-7,9,11-12H2,1-4H3
InChI Key
MUXKWTODTLREAC-UHFFFAOYSA-N
Formula
C15H26O2
SMILES
CCC#CC(CC(C)C)OC(=O)CCCCC
Molecular Weight1
238.37
Sources

Physical Properties

Property Value Unit Source
Δf 39.42 kJ/mol Joback Calculated Property
Δfgas -335.99 kJ/mol Joback Calculated Property
Δfus 33.47 kJ/mol Joback Calculated Property
Δvap 59.52 kJ/mol Joback Calculated Property
logPoct/wat 3.94 Crippen Calculated Property
Pc 1685.18 kPa Joback Calculated Property
Tboil 627.01 K Joback Calculated Property
Tc 816.50 K Joback Calculated Property
Tfus 407.07 K Joback Calculated Property
Vc 0.85 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 581.84 J/mol×K 627.01 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 1
>C=O (nonring) 1
#C- 2
-CH2- 6
-CH3 4

Similar Compounds

Sebacic acid, butyl 2-methyloct-5-yn-4-yl ester. Octanoic acid, 2-methyloct-5-yn-4-yl ester. Sebacic acid, 2-methyloct-5-yn-4-yl propyl ester. Sebacic acid, 2-methyloct-5-yn-4-yl nonyl ester. Sebacic acid, 2-methyloct-5-yn-4-yl undecyl ester. Sebacic acid, 2-methyloct-5-yn-4-yl pentyl ester. Sebacic acid, 2-methyloct-5-yn-4-yl octyl ester. Sebacic acid, heptyl 2-methyloct-5-yn-4-yl ester. Undec-10-ynoic acid, 2-methyloct-5-yn-4-yl ester. Valeric acid, 2-methyloct-5-yn-4-yl ester. 6-Bromohexanoic acid, 2-methyloct-5-yn-4-yl ester. Sebacic acid, isobutyl 2-methyloct-5-yn-4-yl ester. Glutaric acid, hexyl 2-methyloct-5-yn-4-yl ester. Butanoic acid, 2-methyloct-5-yn-4-yl ester. Glutaric acid, di(2-methyloct-5-yn-4-yl) ester.

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

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