Chemical Properties of 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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	55.23	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]
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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1277.41; 1429.15]	J/mol×K	[961.64; 1180.54]
Cp,gas	1277.41	J/mol×K	961.64	Joback Calculated Property
Cp,gas	1302.27	J/mol×K	998.12	Joback Calculated Property
Cp,gas	1327.03	J/mol×K	1034.61	Joback Calculated Property
Cp,gas	1351.89	J/mol×K	1071.09	Joback Calculated Property
Cp,gas	1377.06	J/mol×K	1107.57	Joback Calculated Property
Cp,gas	1402.74	J/mol×K	1144.05	Joback Calculated Property
Cp,gas	1429.15	J/mol×K	1180.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to Retinyl octanoate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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