Chemical Properties of Retinol, hexadecanoate, 11-cis- (CAS 51249-33-3)

Retinol, hexadecanoate, 11-cis-

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InChI
InChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3/b23-20-,27-26+,31-22+,32-28+
InChI Key
VYGQUTWHTHXGQB-SXFSSFKVSA-N
Formula
C36H60O2
SMILES
CCCCCCCCCCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
Molecular Weight1
524.86
CAS
51249-33-3
Sources

Physical Properties

Property Value Unit Source
Δf 351.76 kJ/mol Joback Calculated Property
Δfgas -477.47 kJ/mol Joback Calculated Property
Δfus 75.95 kJ/mol Joback Calculated Property
Δvap 105.77 kJ/mol Joback Calculated Property
logPoct/wat 11.542 Crippen Calculated Property
Pc 579.52 kPa Joback Calculated Property
Tboil 1144.68 K Joback Calculated Property
Tc 1420.22 K Joback Calculated Property
Tfus 576.48 K Joback Calculated Property
Vc 1.915 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1838.42 J/mol×K 1144.68 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=C< 2
=C< (ring) 2
-CH2- 15
=CH- 6
-CH3 6
>C< (ring) 1
>C=O (nonring) 1
-CH2- (ring) 3

Similar Compounds

Retinyl octanoate. Retinyl decanoate. Vitamin A palmitate. 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.

Find more compounds similar to Retinol, hexadecanoate, 11-cis-.

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