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)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C

Molecular Weight¹

412.65

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	284.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-312.35	kJ/mol	Joback Calculated Property
ΔfusH°	55.23	kJ/mol	Joback Calculated Property
ΔvapH°	87.96	kJ/mol	Joback Calculated Property
log10WS	-9.33		Crippen Calculated Property
logPoct/wat	8.422		Crippen Calculated Property
McVol	380.460	ml/mol	McGowan Calculated Property
Pc	872.22	kPa	Joback Calculated Property
Inp	[3157.00; 3157.00]
Inp	3157.00		NIST
Inp	3157.00		NIST
Tboil	961.64	K	Joback Calculated Property
Tc	1180.54	K	Joback Calculated Property
Tfus	486.32	K	Joback Calculated Property
Vc	1.466	m3/kmol	Joback Calculated Property

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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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