Chemical Properties of Geranyl octanoate (CAS 51532-26-4)

Geranyl octanoate

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InChI
InChI=1S/C18H32O2/c1-5-6-7-8-9-13-18(19)20-15-14-17(4)12-10-11-16(2)3/h11,14H,5-10,12-13,15H2,1-4H3/b17-14+
InChI Key
YYBMOGCOPQVSLQ-SAPNQHFASA-N
Formula
C18H32O2
SMILES
CCCCCCCC(=O)OCC=C(C)CCC=C(C)C
Molecular Weight1
280.45
CAS
51532-26-4
Sources

Physical Properties

Property Value Unit Source
Δf 10.10 kJ/mol Joback Calculated Property
Δfgas -444.79 kJ/mol Joback Calculated Property
Δfus 42.95 kJ/mol Joback Calculated Property
Δvap 64.89 kJ/mol Joback Calculated Property
logPoct/wat 5.58 Crippen Calculated Property
Pc 1288.36 kPa Joback Calculated Property
Tboil 695.61 K Joback Calculated Property
Tc 876.41 K Joback Calculated Property
Tfus 326.70 K Joback Calculated Property
Vc 1.03 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 745.18 J/mol×K 695.61 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=C< 2
>C=O (nonring) 1
-CH2- 9
=CH- 2
-CH3 4

Similar Compounds

(E)-3,7-Dimethylocta-2,6-dien-1-yl icosanoate. Sebacic acid, digeranyl ester. (E)-3,7-Dimethylocta-2,6-dien-1-yl palmitate. (E)-3,7-Dimethylocta-2,6-dien-1-yl stearate. (E)-3,7-Dimethylocta-2,6-dien-1-yl tetradecanoate. (Z)-3,7-Dimethylocta-2,6-dien-1-yl dodecanoate. (E)-3,7-Dimethylocta-2,6-dien-1-yl decanoate. (Z)-3,7-Dimethylocta-2,6-dien-1-yl palmitate. (E)-3,7-Dimethylocta-2,6-dien-1-yl dodecanoate. Geranyl heptanoate. Neryl heptanoate. Sebacic acid, geranyl propyl ester. (2E,6E)-3,7,11-Trimethyldodeca-2,6,10-trien-1-yl dodecanoate. (2E,6E)-3,7,11-Trimethyldodeca-2,6,10-trien-1-yl stearate. (Z,E)-Farnesyl caprate.

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