Chemical Properties of Citronellyl 3-methyl-2-butenoate

Citronellyl 3-methyl-2-butenoate

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InChI
InChI=1S/C15H26O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,11,14H,6,8-10H2,1-5H3/t14-/m0/s1
InChI Key
DCEUMOZSMAUPSP-AWEZNQCLSA-N
Formula
C15H26O2
SMILES
CC(C)=CCCC(C)CCOC(=O)C=C(C)C
Molecular Weight1
238.37
Sources

Physical Properties

Property Value Unit Source
Δf -17.60 kJ/mol Joback Calculated Property
Δfgas -388.15 kJ/mol Joback Calculated Property
Δfus 31.65 kJ/mol Joback Calculated Property
Δvap 57.83 kJ/mol Joback Calculated Property
logPoct/wat 4.27 Crippen Calculated Property
Pc 1612.88 kPa Joback Calculated Property
Tboil 626.53 K Joback Calculated Property
Tc 813.52 K Joback Calculated Property
Tfus 277.89 K Joback Calculated Property
Vc 0.86 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 580.04 J/mol×K 626.53 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Citronellyl isocrotonate. 2-Butenoic acid, 3,7-dimethyl-6-octenyl ester. citronellyl geranylate. Z-Citronellyl tiglate. Citronellyl tiglate. Citronellyl acetate. 3,7-Dimethyl-6-nonen-1-ol acetate. 6-Octen-1-ol, 3,7-dimethyl-, propanoate. 2-Butenoic acid, 3-methyl-, hexyl ester. 3-Methyl-2-butenoic acid, decyl ester. 3-Methylbut-2-enoic acid, 2-methylpentyl ester. Citronellyl butyrate. 2-Butenoic acid, 3-methyl-, 3-methylbutyl ester. 2-Butenoic acid, 3-methyl-, pentyl ester. Butanoic acid, 3-methyl-, 3,7-dimethyl-6-octenyl ester.

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