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

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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

• Cheméo Relay (1.0)
• 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.