Chemical Properties of phytadiene 3

phytadiene 3

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InChI
InChI=1S/C20H38/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,12,17,19-20H,1,8-11,13-16H2,2-6H3/b18-12+
InChI Key
HNTNJYMWJHGCBD-LDADJPATSA-N
Formula
C20H38
SMILES
C=CC(C)=CCCC(C)CCCC(C)CCCC(C)C
Molecular Weight1
278.52
Sources

Physical Properties

Property Value Unit Source
Δf 269.71 kJ/mol Joback Calculated Property
Δfgas -239.11 kJ/mol Joback Calculated Property
Δfus 34.60 kJ/mol Joback Calculated Property
Δvap 58.32 kJ/mol Joback Calculated Property
logPoct/wat 7.17 Crippen Calculated Property
Pc 1100.08 kPa Joback Calculated Property
Tboil 656.40 K Joback Calculated Property
Tc 830.57 K Joback Calculated Property
Tfus 249.36 K Joback Calculated Property
Vc 1.10 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 797.00 J/mol×K 656.4 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 3
=C< 1
=CH2 1
-CH2- 8
=CH- 2
-CH3 5

Similar Compounds

Isophytadiene. phytadiene 1. phytadiene 2. 2-Dodecene, 2,6-dimethyl. phyt-2-ene. 2-Hexadecene, 2,6,10,14-tetramethyl-. Dihydroocimene. (E)-Dihydroocimene. 2,6-Dimethyl-5,7-octadiene (cis). 2,6-Dimethyl-5,7-octadiene (trans). (Z)-Dihydroocimene. (E)-2,6,10-Trimethylhexadeca-1,3-diene. (Z)-2,6,10-Trimethylhexadeca-1,3-diene. phytadiene. 2,10-Pristadiene.

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