Chemical Properties of Neryl butyrate (CAS 999-40-6)

Neryl butyrate

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InChI
InChI=1S/C14H24O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,10H,5-7,9,11H2,1-4H3/b13-10-
InChI Key
ZSBOMYJPSRFZAL-RAXLEYEMSA-N
Formula
C14H24O2
SMILES
CCCC(=O)OCC=C(C)CCC=C(C)C
Molecular Weight1
224.34
CAS
999-40-6
Other Names
  • Neryl butanoate
Sources

Physical Properties

Property Value Unit Source
Δf -23.58 kJ/mol Joback Calculated Property
Δfgas -362.23 kJ/mol Joback Calculated Property
Δfus 32.59 kJ/mol Joback Calculated Property
Δvap 55.99 kJ/mol Joback Calculated Property
logPoct/wat 4.02 Crippen Calculated Property
Pc 1733.22 kPa Joback Calculated Property
Tboil 604.09 K Joback Calculated Property
Tc 789.66 K Joback Calculated Property
Tfus 281.62 K Joback Calculated Property
Vc 0.81 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 527.13 J/mol×K 604.09 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=C< 2
>C=O (nonring) 1
-CH2- 5
=CH- 2
-CH3 4

Similar Compounds

Butanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-. Farnesyl butanoate. Farnesyl butanoate. Farnesyl butyrate. Neryl valerate. Pentanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-. Geranyl isovalerate. Neryl isovalerate. (E)-3,7-Dimethylocta-2,6-dien-1-yl 3-methylbutanoate. (2E,6E)-Farnesyl pentanoate. Geranyl propionate. 2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate, (Z)-. ( E, E)-farnesyl 3-methylbutanoate. Neryl hexanoate. Hexanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-.

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