Chemical Properties of Retinyl decanoate

Retinyl decanoate

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InChI
InChI=1S/C30H48O2/c1-7-8-9-10-11-12-13-19-29(31)32-24-22-26(3)17-14-16-25(2)20-21-28-27(4)18-15-23-30(28,5)6/h14,16-17,20-22H,7-13,15,18-19,23-24H2,1-6H3/b17-14+,21-20+,25-16+,26-22+
InChI Key
FAPCXJRRCFTZLR-HEYZNTEQSA-N
Formula
C30H48O2
SMILES
CCCCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
Molecular Weight1
440.70
Sources

Physical Properties

Property Value Unit Source
Δf 301.24 kJ/mol Joback Calculated Property
Δfgas -353.63 kJ/mol Joback Calculated Property
Δfus 60.41 kJ/mol Joback Calculated Property
Δvap 92.42 kJ/mol Joback Calculated Property
logPoct/wat 9.202 Crippen Calculated Property
Pc 781.12 kPa Joback Calculated Property
Tboil 1007.40 K Joback Calculated Property
Tc 1233.47 K Joback Calculated Property
Tfus 508.86 K Joback Calculated Property
Vc 1.579 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1412.07 J/mol×K 1007.4 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=C< 2
=C< (ring) 2
-CH2- 9
=CH- 6
-CH3 6
>C< (ring) 1
>C=O (nonring) 1
-CH2- (ring) 3

Similar Compounds

Retinyl octanoate. Vitamin A palmitate. Retinol, hexadecanoate, 11-cis-. Retinyl dodecanoate. Retinyl hexanoate. Retinyl butanoate. Retinol, acetate. Retinoic acid, methyl ester. Retinol. .beta.,.beta.-Carotene. Retinal. Retinal, 9-cis-. .beta.-Ionyl acetate. B-Ionene. Methyl-Labd-8-enoate.

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