Chemical Properties of Retinol, hexadecanoate, 11-cis- (CAS 51249-33-3)

InChI

InChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3/b23-20-,27-26+,31-22+,32-28+

InChI Key

VYGQUTWHTHXGQB-SXFSSFKVSA-N

Formula

C36H60O2

SMILES

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

Molecular Weight¹

524.86

CAS

51249-33-3

• 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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1838.42; 2102.41]	J/mol×K	[1144.68; 1420.22]
Cp,gas	1838.42	J/mol×K	1144.68	Joback Calculated Property
Cp,gas	1877.94	J/mol×K	1190.60	Joback Calculated Property
Cp,gas	1918.62	J/mol×K	1236.53	Joback Calculated Property
Cp,gas	1960.94	J/mol×K	1282.45	Joback Calculated Property
Cp,gas	2005.36	J/mol×K	1328.37	Joback Calculated Property
Cp,gas	2052.36	J/mol×K	1374.29	Joback Calculated Property
Cp,gas	2102.41	J/mol×K	1420.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to Retinol, hexadecanoate, 11-cis-.

Sources

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

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