Chemical Properties of (2E,6E)-3,7,11-Trimethyldodeca-2,6,10-trienyl propionate (CAS 104857-55-8)

(2E,6E)-3,7,11-Trimethyldodeca-2,6,10-trienyl propionate

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InChI
InChI=1S/C18H30O2/c1-6-18(19)20-14-13-17(5)12-8-11-16(4)10-7-9-15(2)3/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+
InChI Key
XFACLYNWBJYMCK-IUBLYSDUSA-N
Formula
C18H30O2
SMILES
CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C
Molecular Weight1
278.43
CAS
104857-55-8
Sources

Physical Properties

Property Value Unit Source
Δf 81.77 kJ/mol Joback Calculated Property
Δfgas -337.36 kJ/mol Joback Calculated Property
Δfus 41.84 kJ/mol Joback Calculated Property
Δvap 64.93 kJ/mol Joback Calculated Property
logPoct/wat 5.36 Crippen Calculated Property
Pc 1342.74 kPa Joback Calculated Property
Tboil 699.65 K Joback Calculated Property
Tc 887.99 K Joback Calculated Property
Tfus 307.66 K Joback Calculated Property
Vc 1.01 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 722.44 J/mol×K 699.65 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=C< 3
>C=O (nonring) 1
-CH2- 6
=CH- 3
-CH3 5

Similar Compounds

Geranyl propionate. 2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate, (Z)-. (Z,E)-Farnesyl acetate. (E,Z)-farnesyl acetate. (Z)-Farnesyl acetate. 2,6,10,14-Hexadecatetraen-1-ol, 3,7,11,15-tetramethyl-, acetate, (E,E,E)-. 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, acetate, (E,E)-. Farnesyl acetate. Farnesyl butanoate. Farnesyl butanoate. Farnesyl butyrate. Neryl isobutanoate. Propanoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E)-. Butanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-. Neryl butyrate.

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