Chemical Properties of Chrysanthenyl hexanoate

Chrysanthenyl hexanoate

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InChI
InChI=1S/C16H26O2/c1-5-6-7-8-13(17)18-15-12-10-9-11(2)14(15)16(12,3)4/h9,12,14-15H,5-8,10H2,1-4H3
InChI Key
BYHBSLCRLQTEFD-UHFFFAOYSA-N
Formula
C16H26O2
SMILES
CCCCCC(=O)OC1C2CC=C(C)C1C2(C)C
Molecular Weight1
250.38
Sources

Physical Properties

Property Value Unit Source
Δf -41.26 kJ/mol Joback Calculated Property
Δfgas -458.06 kJ/mol Joback Calculated Property
Δfus 30.83 kJ/mol Joback Calculated Property
Δvap 59.55 kJ/mol Joback Calculated Property
logPoct/wat 4.101 Crippen Calculated Property
Pc 1703.31 kPa Joback Calculated Property
Tboil 654.56 K Joback Calculated Property
Tc 853.02 K Joback Calculated Property
Tfus 403.30 K Joback Calculated Property
Vc 0.844 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 628.48 J/mol×K 654.56 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

cis-Chrysanthenyl pentanoate. cis-Chrysanthenyl butanoate. chrysanthenyl isovalerate I. trans-Chrysanthenyl isovalerate. chrysanthenyl isovalerate II. Chrysanthenyl isovalerate. cis-Chrysanthenyl isovalerate. cis-Chrysanthenyl propionate. Chrysanthenyl propanoate. Chrysantenyl 2-methuylbutanoate. cis-Chrysanthenyl isobutyrate. cis-Chrysanthenyl acetate. Chrysanthenyl acetate. Bicyclo[3.1.1]hept-2-en-6-ol, 2,7,7-trimethyl-, acetate, [1S-(1«alpha»,5«alpha»,6«beta»)]-. trans-Chrysanthenyl acetate.

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