Chemical Properties of Neryl heptanoate

Neryl heptanoate

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InChI
InChI=1S/C17H30O2/c1-5-6-7-8-12-17(18)19-14-13-16(4)11-9-10-15(2)3/h10,13H,5-9,11-12,14H2,1-4H3/b16-13-
InChI Key
NSMHPPLPBQPIQJ-SSZFMOIBSA-N
Formula
C17H30O2
SMILES
CCCCCCC(=O)OCC=C(C)CCC=C(C)C
Molecular Weight1
266.42
Other Names
  • Neryl-n-heptanoate
Sources

Physical Properties

Property Value Unit Source
Δf 1.68 kJ/mol Joback Calculated Property
Δfgas -424.15 kJ/mol Joback Calculated Property
Δfus 40.36 kJ/mol Joback Calculated Property
Δvap 62.67 kJ/mol Joback Calculated Property
logPoct/wat 5.193 Crippen Calculated Property
Pc 1381.96 kPa Joback Calculated Property
Tboil 672.73 K Joback Calculated Property
Tc 854.15 K Joback Calculated Property
Tfus 315.43 K Joback Calculated Property
Vc 0.974 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 688.75 J/mol×K 672.73 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=C< 2
>C=O (nonring) 1
-CH2- 8
=CH- 2
-CH3 4

Similar Compounds

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

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