Chemical Properties of Cholesta-5,7-dien-3-ol, (3«beta»)- (CAS 434-16-2)

InChI

InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3/t19?,21-,23?,24?,25?,26?,27?/m1/s1

InChI Key

UCTLRSWJYQTBFZ-CLVRJJFZSA-N

Formula

C27H44O

SMILES

CC(C)CCCC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC21C

Molecular Weight¹

384.64

CAS

434-16-2

Other Names

• Cholesta-5,7-dien-3«beta»-ol
• «DELTA»5,7-Cholesterol
• «DELTA»7-Cholesterol
• (3«beta»)-Cholesta-5,7-dien-3-ol
• Cholesterol, 7-dehydro-
• Dehydrocholesterol
• Provitamin D3
• 5,7-Cholestandien-3«beta»-ol
• 7-Dehydrocholesterin
• 7-Dehydrocholesterol
• 7,8-Didehydrocholesterol
• 5,7-Cholestadien-3-«beta»-ol
• Dehydrocholesterin
• «DELTA»5,7-Cholestadien-3«beta»-ol
• NSC 18159

• 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°	231.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-420.58	kJ/mol	Joback Calculated Property
ΔfusH°	35.98	kJ/mol	Joback Calculated Property
ΔvapH°	91.10	kJ/mol	Joback Calculated Property
log10WS	-8.09		Crippen Calculated Property
logPoct/wat	7.309		Crippen Calculated Property
McVol	345.120	ml/mol	McGowan Calculated Property
Pc	1117.81	kPa	Joback Calculated Property
Inp	[3160.00; 3160.00]
Inp	3160.00		NIST
Inp	3160.00		NIST
Tboil	956.19	K	Joback Calculated Property
Tc	1179.03	K	Joback Calculated Property
Tfus	544.91	K	Joback Calculated Property
Vc	1.308	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1283.96; 1479.55]	J/mol×K	[956.19; 1179.03]
Cp,gas	1283.96	J/mol×K	956.19	Joback Calculated Property
Cp,gas	1313.76	J/mol×K	993.33	Joback Calculated Property
Cp,gas	1344.24	J/mol×K	1030.47	Joback Calculated Property
Cp,gas	1375.73	J/mol×K	1067.61	Joback Calculated Property
Cp,gas	1408.56	J/mol×K	1104.75	Joback Calculated Property
Cp,gas	1443.06	J/mol×K	1141.89	Joback Calculated Property
Cp,gas	1479.55	J/mol×K	1179.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cholesta-5,7-dien-3-ol, (3«beta»)-.

Sources

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

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