Chemical Properties of 1,3-Dioxane, 2-isopentyl-4-(2-pentenyl), 2S,4R

1,3-Dioxane, 2-isopentyl-4-(2-pentenyl), 2S,4R

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InChI
InChI=1S/C14H26O2/c1-4-5-6-7-13-10-11-15-14(16-13)9-8-12(2)3/h5-6,12-14H,4,7-11H2,1-3H3/b6-5+/t13-,14+/m0/s1
InChI Key
LZKQPIVTALJJKY-BUHQSOCUSA-N
Formula
C14H26O2
SMILES
CCC=CCC1CCOC(CCC(C)C)O1
Molecular Weight1
226.35
Sources

Physical Properties

Property Value Unit Source
Δf -10.72 kJ/mol Joback Calculated Property
Δfgas -450.37 kJ/mol Joback Calculated Property
Δfus 37.56 kJ/mol Joback Calculated Property
Δvap 55.47 kJ/mol Joback Calculated Property
logPoct/wat 3.911 Crippen Calculated Property
Pc 1813.86 kPa Joback Calculated Property
Tboil 592.22 K Joback Calculated Property
Tc 789.59 K Joback Calculated Property
Tfus 283.74 K Joback Calculated Property
Vc 0.767 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 553.65 J/mol×K 592.22 Joback Calculated Property
η 0.0001668 Pa×s 592.22 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (ring) 2
-CH2- 4
=CH- 2
-CH3 3
>CH- (ring) 2
-CH2- (ring) 2

Similar Compounds

1,3-Dioxane, 2-isopentyl-4-(2-pentenyl), 2R,4R. 1,3-Dioxane, 2-propyl-4-(2-pentenyl), 2S,4R. 1,3-Dioxane, 2-propyl-4-(2-pentenyl), 2R,4R. 1,3-Dioxane, 2-pentyl-4-(2-pentenyl), 2S,4R. 1,3-Dioxane, 2-pentyl-4-(2-pentenyl), 2R,4R. 1,3-Dioxane, 2-ethyl-4-(2-pentenyl), 2S,4R. 1,3-Dioxane, 2-ethyl-4-(2-pentenyl), 2R,4R. 1,3-Dioxane, 2-(1-methylbutyl)-4-(2-pentenyl), 2S,4R. 1,3-Dioxane, 2-(1-methylbutyl)-4-(2-pentenyl), 2R,4R. 1,3-Dioxane, 2-isopropyl-4-(2-pentenyl), 2S,4R. 1,3-Dioxane, 2-isopropyl-4-(2-pentenyl), 2R,4R. 1,3-Dioxane, 2-ethyl-2-methyl-4-(2-pentenyl), 2S,4R. 1,3-Dioxane, 2-ethyl-2-methyl-4-(2-pentenyl), 2R,4R. 1,3-Dioxane, 2,2-dimethyl-4-(2-pentenyl), 4R. 1,3-Dioxane, 2-isopentyl-4-pentyl, 2R,4R.

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