Chemical Properties of Retinyl hexanoate

Retinyl hexanoate

InChI
InChI=1S/C26H40O2/c1-7-8-9-15-25(27)28-20-18-22(3)13-10-12-21(2)16-17-24-23(4)14-11-19-26(24,5)6/h10,12-13,16-18H,7-9,11,14-15,19-20H2,1-6H3/b13-10+,17-16+,21-12+,22-18+
InChI Key
JOHZSPKDCASWAX-BAJOQGENSA-N
Formula
C26H40O2
SMILES
CCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
Molecular Weight1
384.59
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Physical Properties

Property Value Unit Source
ΔfusH° 51.63 kJ/mol Joback Calculated Property
IE 7.36 eV Relay (1.0) Calculated Property
logPoct/wat 7.642 Crippen Calculated Property
McVol 352.280 ml/mol McGowan Calculated Property
Inp [2970.00; 2970.00]   Show Hide
Inp 2970.00 NIST
Inp 2970.00 NIST
Inp 2970.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [474.25; 1200.95] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.30665e+02
Coefficient B2.73792e+00
Coefficient C-2.10260e-03
Coefficient D6.96300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 474.25 J/mol×K 273.00 Calculated Property
Cp,gas 605.62 J/mol×K 353.78 Calculated Property
Cp,gas 719.20 J/mol×K 434.56 Calculated Property
Cp,gas 817.19 J/mol×K 515.33 Calculated Property
Cp,gas 901.78 J/mol×K 596.11 Calculated Property
Cp,gas 975.18 J/mol×K 676.89 Calculated Property
Cp,gas 1039.60 J/mol×K 757.67 Calculated Property
Cp,gas 1097.24 J/mol×K 838.44 Calculated Property
Cp,gas 1150.29 J/mol×K 919.22 Calculated Property
Cp,gas 1200.96 J/mol×K 1000.00 Calculated Property

Similar Compounds

Retinyl octanoate. Retinyl decanoate. Vitamin a palmitate. Retinyl dodecanoate. Retinol, hexadecanoate, 11-cis-. Retinyl butanoate. Retinol, acetate. Retinoic acid, methyl ester. Retinol. Methyl-Labd-8-enoate. Methyl chol-4,6-dien-3-one-24-oate, oxime, TMS. Vitinoin. 3-oxy-4,6-cholenoate, methyl ester-trimethylsilyl ether. 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethenyl)-, methyl ester, [1R-(1«alpha»,4a«beta»,4b«alpha»,10a«alpha»)]-. 4,6-Choladienoic acid, 12-«alpha»-hydroxy-3-one, methyl ester, TMS.

Find more compounds similar to Retinyl hexanoate.

Sources

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