Chemical Properties of Deoxyartemisinin (CAS 72826-63-2)

InChI

InChI=1S/C15H22O4/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-15/h8-11,13H,4-7H2,1-3H3

InChI Key

ZQGMLVQZBIKKMP-UHFFFAOYSA-N

Formula

C15H22O4

SMILES

CC1CCC2C(C)C(=O)OC3OC4(C)CCC1C32O4

Molecular Weight¹

266.33

CAS

72826-63-2

• 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°	-132.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-644.45	kJ/mol	Joback Calculated Property
ΔfusH°	34.91	kJ/mol	Joback Calculated Property
ΔvapH°	63.70	kJ/mol	Joback Calculated Property
log10WS	-3.08		Crippen Calculated Property
logPoct/wat	2.463		Crippen Calculated Property
McVol	197.950	ml/mol	McGowan Calculated Property
Pc	2347.36	kPa	Joback Calculated Property
Inp	[2058.40; 2058.40]
Inp	2058.40		NIST
Inp	2058.40		NIST
Tboil	717.51	K	Joback Calculated Property
Tc	966.63	K	Joback Calculated Property
Tfus	503.02	K	Joback Calculated Property
Vc	0.743	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[658.96; 790.94]	J/mol×K	[717.51; 966.63]
Cp,gas	658.96	J/mol×K	717.51	Joback Calculated Property
Cp,gas	681.62	J/mol×K	759.03	Joback Calculated Property
Cp,gas	703.54	J/mol×K	800.55	Joback Calculated Property
Cp,gas	725.06	J/mol×K	842.07	Joback Calculated Property
Cp,gas	746.56	J/mol×K	883.59	Joback Calculated Property
Cp,gas	768.40	J/mol×K	925.11	Joback Calculated Property
Cp,gas	790.94	J/mol×K	966.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to Deoxyartemisinin.

Sources

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

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