Chemical Properties of Retinyl butanoate

Retinyl butanoate

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InChI
InChI=1S/C24H36O2/c1-7-10-23(25)26-18-16-20(3)12-8-11-19(2)14-15-22-21(4)13-9-17-24(22,5)6/h8,11-12,14-16H,7,9-10,13,17-18H2,1-6H3/b12-8+,15-14+,19-11+,20-16+
InChI Key
MSHMSHDEYSUBDL-GTHIKWOPSA-N
Formula
C24H36O2
SMILES
CCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
Molecular Weight1
356.54
Sources

Physical Properties

Property Value Unit Source
Δf 250.72 kJ/mol Joback Calculated Property
Δfgas -229.79 kJ/mol Joback Calculated Property
Δfus 44.87 kJ/mol Joback Calculated Property
Δvap 79.06 kJ/mol Joback Calculated Property
logPoct/wat 6.861 Crippen Calculated Property
Pc 1109.63 kPa Joback Calculated Property
Tboil 870.12 K Joback Calculated Property
Tc 1085.31 K Joback Calculated Property
Tfus 441.24 K Joback Calculated Property
Vc 1.242 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1019.56 J/mol×K 870.12 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Retinyl hexanoate. Retinyl dodecanoate. Retinol, hexadecanoate, 11-cis-. Retinyl octanoate. Vitamin A palmitate. Retinyl decanoate. Retinol, acetate. Retinoic acid, methyl ester. Retinol. .beta.,.beta.-Carotene. Retinal, 9-cis-. Retinal. .beta.-Ionyl acetate. B-Ionene. 3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-.

Find more compounds similar to Retinyl butanoate.

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