Chemical Properties of Chalcogran, isomer # 1

Chalcogran, isomer # 1

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InChI
InChI=1S/C9H16O2/c1-2-8-4-6-9(11-8)5-3-7-10-9/h8H,2-7H2,1H3
InChI Key
DCWKALWZHORJAO-UHFFFAOYSA-N
Formula
C9H16O2
SMILES
CCC1CCC2(CCCO2)O1
Molecular Weight1
156.22
Sources

Physical Properties

Property Value Unit Source
Δf -67.63 kJ/mol Joback Calculated Property
Δfgas -350.73 kJ/mol Joback Calculated Property
Δfus 18.70 kJ/mol Joback Calculated Property
Δvap 43.84 kJ/mol Joback Calculated Property
logPoct/wat 2.08 Crippen Calculated Property
Pc 3380.21 kPa Joback Calculated Property
Tboil 485.75 K Joback Calculated Property
Tc 709.46 K Joback Calculated Property
Tfus 293.55 K Joback Calculated Property
Vc 0.47 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 307.72 J/mol×K 485.75 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Chalcogran, isomer # 2. Conophthorin. 1,6-dioxaspiro [4,5] decane, 7-methyl. Acetal of cyclododecanone and 2,2-dimethyl-1,3-propanediol. 1,3-Dioxane, 2-ethyl-2-methyl-4-pentyl, 2S,4R. 1,3-Dioxane, 2-ethyl-2methyl-4-pentyl, 2R,4R. 1,7-Dioxaspiro[5.5]undecane. Cyclohexanone-1,3-butanediol ketal. Cyclododecanone 2,2-dimethylpropanediol-1,3 acetal. 6,8-Dioxabicyclo[3.2.1]octane, 7-ethyl-5-methyl-, (1r-exo)-. 1,3-Dioxane, 2,4-dipentyl, 2S,4R. 1,3-Dioxane, 2,4-pentyl, 2R,4R. Furan, tetrahydro, 2-ethoxy-2-methyl. 1,3-Dioxane, 2,2-dimethyl-4-pentyl, 4R. 1,3-Dioxane, 2-isopentyl-4-pentyl, 2S,4R.

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