Chemical Properties of Octanoic acid, 3-hexenyl ester, (z)- (CAS 61444-41-5)

Octanoic acid, 3-hexenyl ester, (z)-

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InChI
InChI=1S/C14H26O2/c1-3-5-7-9-10-12-14(15)16-13-11-8-6-4-2/h6,8H,3-5,7,9-13H2,1-2H3/b8-6-
InChI Key
DYIDDAHHUMHEEQ-VURMDHGXSA-N
Formula
C14H26O2
SMILES
CCC=CCCOC(=O)CCCCCCC
Molecular Weight1
226.35
CAS
61444-41-5
Other Names
  • (3Z)-3-Hexenyl octanoate
  • (Z)-3-Hexenyl octanoate
  • Octanoic acid, (3Z)-3-hexen-1-yl ester
  • cis-3-Hexanyl n-octanoate
  • cis-3-hexenyl octanoate
Sources

Physical Properties

Property Value Unit Source
Δf -86.70 kJ/mol Joback Calculated Property
Δfgas -459.87 kJ/mol Joback Calculated Property
Δfus 35.00 kJ/mol Joback Calculated Property
Δvap 55.87 kJ/mol Joback Calculated Property
logPoct/wat 4.25 Crippen Calculated Property
Pc 1647.09 kPa Joback Calculated Property
Tboil 600.17 K Joback Calculated Property
Tc 774.06 K Joback Calculated Property
Tfus 314.62 K Joback Calculated Property
Vc 0.82 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 547.45 J/mol×K 600.17 Joback Calculated Property
η 0.00 Pa×s 600.17 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH2- 9
>C=O (nonring) 1
=CH- 2
-CH3 2

Similar Compounds

Sebacic acid, trans-3-hexenyl propyl ester. (E)-3-Hexenyl nonanoate. (Z)-3-hexenyl undecanoate. Decanoic acid, 3-hexenyl ester, (z)-. (Z)-3-Hexenyl nonanoate. Sebacic acid, cis-hex-3-enyl propyl ester. Sebacic acid, di(cis-3-hexenyl) ester. Sebacic acid, di(trans-3-hexenyl) ester. Heptanoic acid, 3-hexenyl ester, (Z)-. Sebacic acid, butyl trans-3-hexenyl ester. Sebacic acid, cis-hex-3-enyl butyl ester. Sebacic acid, decyl trans-3-hexenyl ester. Sebacic acid, heptyl trans-3-hexenyl ester. Sebacic acid, trans-3-hexenyl undecyl ester. Sebacic acid, nonyl trans-3-hexenyl ester.

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