Chemical Properties of Retinyl octanoate

Retinyl octanoate

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)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
Molecular Weight1
412.66
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Physical Properties

Property Value Unit Source
ΔfusH° 56.81 kJ/mol Joback Calculated Property
IE 7.18 eV Relay (1.0) Calculated Property
logPoct/wat 8.422 Crippen Calculated Property
McVol 380.460 ml/mol McGowan Calculated Property
Inp [3157.00; 3157.00]   Show Hide
Inp 3157.00 NIST
Inp 3157.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [516.68; 1304.14] 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-1.32483e+02
Coefficient B2.92792e+00
Coefficient C-2.21140e-03
Coefficient D7.20100e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 516.68 J/mol×K 273.00 Calculated Property
Cp,gas 658.46 J/mol×K 353.78 Calculated Property
Cp,gas 781.36 J/mol×K 434.56 Calculated Property
Cp,gas 887.64 J/mol×K 515.33 Calculated Property
Cp,gas 979.60 J/mol×K 596.11 Calculated Property
Cp,gas 1059.51 J/mol×K 676.89 Calculated Property
Cp,gas 1129.63 J/mol×K 757.67 Calculated Property
Cp,gas 1192.26 J/mol×K 838.44 Calculated Property
Cp,gas 1249.67 J/mol×K 919.22 Calculated Property
Cp,gas 1304.14 J/mol×K 1000.00 Calculated Property

Similar Compounds

Retinyl decanoate. Retinyl hexanoate. 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 octanoate.

Sources

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