Chemical Properties of Ergocalciferol (CAS 50-14-6)

InChI

InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13+/t20?,22?,25-,26?,27?,28?/m1/s1

InChI Key

MECHNRXZTMCUDQ-HXLIECEWSA-N

Formula

C28H44O

SMILES

C=C1CCC(O)CC1=CC=C1CCCC2(C)C1CCC2C(C)C=CC(C)C(C)C

Molecular Weight¹

396.65

CAS

50-14-6

Other Names

• Vitamin D2
• 9,10-Secoergosta-5,7,10(19),22-tetraen-3-ol, (3«beta»,5Z,7E,22E)-
• Buco-D
• Calciferol
• Condocaps
• Condol
• Crystallina
• D-Arthin
• Davitamon D
• Davitin
• Decaps
• Dee-Osterol
• Dee-Ron
• Dee-Ronal
• Deltalin
• Deratol
• Detalup
• Diactol
• Divit urto
• Doral
• Drisdol
• Ergorone
• Ertron
• Fortodyl
• Geltabs
• Hi-Deratol
• Infron
• Metadee
• Mulsiferol
• Mykostin
• Oleovitamin D2
• Ostelin
• Radiostol
• Radsterin
• Shock-ferol
• Synthetic Vitamin D
• Viosterol
• Vitavel-D
• Calciferon 2
• Condacaps
• Crtron
• Daral
• Dee-Roual
• Ergosterol activated
• Ergosterol, irradiated
• Irradiated ergosta-5,7,22-trien-3«beta»-ol
• Novovitamin-D
• Oleovitamin D
• Vigantol
• Viostdrol
• Vitamin D
• 9,10,Secoergosta-5,7,10(19),22-tetraen 3«beta»-ol
• Sterogyl
• Rodine C
• (3«beta»,5Z,7E,22E)-9,10-Secoergosta-5,7,10(19)-,22-tetraen-3-ol
• D-Tracetten
• De-rat concentrate
• Ercalciol
• Uvesterol-D
• Vio-D
• (5Z,7E,22E)-9,10-Secoergosta-5,7,10,22-tetraen-3«beta»-ol
• Cyclohexanol, 4-methylene-3-((2E)-2-((1R,3aS,7aR)-octahydro-7a-methyl-1-((1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl)-4H-inden-4-ylidene)ethylidene)-, (1S,3Z)-
• (+)-Vitamin D2
• 9,10-Secoergosta-5,7,10(19),22-tetraen-3.betat.-ol
• Mina D2

• 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	[1309.97; 1468.20]	J/mol×K	[988.91; 1216.45]
Cp,gas	1309.97	J/mol×K	988.91	Joback Calculated Property
Cp,gas	1335.90	J/mol×K	1026.83	Joback Calculated Property
Cp,gas	1361.69	J/mol×K	1064.76	Joback Calculated Property
Cp,gas	1387.57	J/mol×K	1102.68	Joback Calculated Property
Cp,gas	1413.79	J/mol×K	1140.60	Joback Calculated Property
Cp,gas	1440.58	J/mol×K	1178.52	Joback Calculated Property
Cp,gas	1468.20	J/mol×K	1216.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ergocalciferol.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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