Chemical Properties of Retinyl octanoate

Retinyl octanoate

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InChI
InChI=1S/C28H44O2/c1-7-8-9-10-11-17-27(29)30-22-20-24(3)15-12-14-23(2)18-19-26-25(4)16-13-21-28(26,5)6/h12,14-15,18-20H,7-11,13,16-17,21-22H2,1-6H3/b15-12+,19-18+,23-14+,24-20+
InChI Key
AWGMQQGZWRIUJI-UBMBPVGBSA-N
Formula
C28H44O2
SMILES
CCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
Molecular Weight1
412.65
Sources

Physical Properties

Property Value Unit Source
Δf 284.40 kJ/mol Joback Calculated Property
Δfgas -312.35 kJ/mol Joback Calculated Property
Δfus 55.23 kJ/mol Joback Calculated Property
Δvap 87.96 kJ/mol Joback Calculated Property
logPoct/wat 8.422 Crippen Calculated Property
Pc 872.22 kPa Joback Calculated Property
Tboil 961.64 K Joback Calculated Property
Tc 1180.54 K Joback Calculated Property
Tfus 486.32 K Joback Calculated Property
Vc 1.466 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1277.41 J/mol×K 961.64 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=C< 2
>C=O (nonring) 1
=C< (ring) 2
-CH2- 7
=CH- 6
>C< (ring) 1
-CH3 6
-CH2- (ring) 3

Similar Compounds

Retinyl decanoate. 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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