Chemical Properties of Nerolidyl propionate

Nerolidyl propionate

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InChI
InChI=1S/C18H30O2/c1-7-17(19)20-18(6,8-2)14-10-13-16(5)12-9-11-15(3)4/h8,11,13H,2,7,9-10,12,14H2,1,3-6H3/b16-13+
InChI Key
NPSBIIPKEQTFPA-DTQAZKPQSA-N
Formula
C18H30O2
SMILES
C=CC(C)(CCC=C(C)CCC=C(C)C)OC(=O)CC
Molecular Weight1
278.43
Other Names
  • trans-nerolidyl propanoate
Sources

Physical Properties

Property Value Unit Source
Δf 100.78 kJ/mol Joback Calculated Property
Δfgas -328.11 kJ/mol Joback Calculated Property
Δfus 34.25 kJ/mol Joback Calculated Property
Δvap 62.93 kJ/mol Joback Calculated Property
logPoct/wat 5.36 Crippen Calculated Property
Pc 1346.69 kPa Joback Calculated Property
Tboil 689.06 K Joback Calculated Property
Tc 879.50 K Joback Calculated Property
Tfus 327.36 K Joback Calculated Property
Vc 1.00 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 723.33 J/mol×K 689.06 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=C< 2
>C=O (nonring) 1
=CH2 1
-CH2- 5
>C< 1
=CH- 3
-CH3 5

Similar Compounds

Nerolidyl acetate. trans-Nerolidyl Acetate. (Z)-Nerolidyl acetate. 1,6-Octadien-3-ol, 3,7-dimethyl-, propanoate. 1,5-Dimethyl-1-vinyl-4-hexenyl butyrate. (Z)-Nerolidol acetate. 1,5-dimethyl-1-vinylhept-4-enyl acetate. Linalyl isobutyrate. Pentanoic acid, 1-ethenyl-1,5-dimethyl-4-hexenyl ester. Butanoic acid, 3-methyl-, 1-ethenyl-1,5-dimethyl-4-hexenyl ester. Linalyl n-hexanoate. 1,6-Octadien-3-ol, 3,7-dimethyl-, acetate. Linalyl heptanoate. Linalyl 2-methylbutanoate. linalyl 3-methylhexanoate.

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