Chemical Properties of ARTEMISININ

InChI

InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/m1/s1

InChI Key

BLUAFEHZUWYNDE-NNWCWBAJSA-N

Formula

C15H22O5

SMILES

C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4

Molecular Weight¹

282.34

Other Names

• 3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10(3H)-one, octahydro-3,6,9-trimethyl-, (3R,5aS,6R,8aS,9R,12S,12aR)-
• Artemesinin

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	24.30	kJ/mol	Solubility of Artemisinin in Different Single and Binary Solvent Mixtures Between (284.15 and 323.15) K and NRTL Interaction Parameters
logPoct/wat	2.395		Crippen Calculated Property
McVol	203.820	ml/mol	McGowan Calculated Property
Inp	[1919.00; 1919.00]
Inp	1919.00		NIST
Inp	1919.00		NIST
Tfus	421.43	K	Standard Molar Enthalpies of Formation and Thermal Stabilities of Artemisinin and Its Two Derivatives: Artemether and Artesunate

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	[106.29; 429.50]	J/mol×K	[80.88; 363.03]
Cp,solid	106.29	J/mol×K	80.88	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	107.40	J/mol×K	84.39	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	111.29	J/mol×K	87.31	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	115.11	J/mol×K	90.28	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	118.77	J/mol×K	93.15	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	122.29	J/mol×K	96.08	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	126.22	J/mol×K	99.06	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	129.96	J/mol×K	101.96	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	133.57	J/mol×K	104.91	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	137.36	J/mol×K	107.91	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	141.04	J/mol×K	110.85	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	144.58	J/mol×K	113.72	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	147.72	J/mol×K	116.65	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	151.40	J/mol×K	119.63	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	154.67	J/mol×K	122.57	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	158.04	J/mol×K	125.44	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	161.18	J/mol×K	128.38	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	164.32	J/mol×K	131.37	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	167.29	J/mol×K	134.31	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	170.20	J/mol×K	137.21	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	173.58	J/mol×K	140.06	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	175.98	J/mol×K	142.85	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	178.74	J/mol×K	145.70	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	181.39	J/mol×K	148.61	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	184.15	J/mol×K	151.48	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	188.26	J/mol×K	154.31	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	189.51	J/mol×K	157.09	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	190.78	J/mol×K	159.85	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	193.14	J/mol×K	162.66	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	194.65	J/mol×K	165.54	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	196.91	J/mol×K	168.38	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	197.84	J/mol×K	171.20	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	199.03	J/mol×K	173.98	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	201.03	J/mol×K	176.74	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	203.22	J/mol×K	179.47	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	204.81	J/mol×K	182.17	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	207.17	J/mol×K	184.93	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	209.02	J/mol×K	187.75	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	210.20	J/mol×K	190.54	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	211.69	J/mol×K	193.30	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	214.53	J/mol×K	196.04	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	218.09	J/mol×K	198.78	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	234.61	J/mol×K	201.49	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	248.75	J/mol×K	204.35	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	254.52	J/mol×K	207.26	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	259.16	J/mol×K	210.15	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	263.67	J/mol×K	213.03	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	268.33	J/mol×K	215.98	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	272.61	J/mol×K	218.98	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	277.47	J/mol×K	221.97	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	283.14	J/mol×K	224.93	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	300.11	J/mol×K	227.86	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	305.21	J/mol×K	230.90	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	304.08	J/mol×K	234.15	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	300.49	J/mol×K	237.20	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	312.96	J/mol×K	240.20	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	303.71	J/mol×K	243.25	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	290.19	J/mol×K	246.20	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	291.35	J/mol×K	249.15	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	292.72	J/mol×K	252.08	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	294.78	J/mol×K	254.99	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	295.87	J/mol×K	257.88	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	297.43	J/mol×K	260.75	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	299.57	J/mol×K	263.60	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	301.66	J/mol×K	266.43	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	304.16	J/mol×K	269.30	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	307.87	J/mol×K	272.21	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	309.22	J/mol×K	275.11	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	312.58	J/mol×K	278.48	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	315.57	J/mol×K	282.32	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	318.40	J/mol×K	286.12	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	323.79	J/mol×K	289.88	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	327.62	J/mol×K	293.71	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	331.62	J/mol×K	297.59	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	336.33	J/mol×K	301.45	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	339.95	J/mol×K	305.28	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	344.57	J/mol×K	309.08	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	351.73	J/mol×K	312.86	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	334.75	J/mol×K	316.64	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	337.71	J/mol×K	320.44	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	338.79	J/mol×K	324.16	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	344.42	J/mol×K	327.84	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	356.39	J/mol×K	331.58	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	360.69	J/mol×K	335.37	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	368.06	J/mol×K	339.11	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	376.18	J/mol×K	342.41	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	376.26	J/mol×K	345.26	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	388.36	J/mol×K	348.11	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	394.39	J/mol×K	350.96	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	397.54	J/mol×K	353.85	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	403.86	J/mol×K	356.81	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	413.08	J/mol×K	359.88	Low temperature molar heat capacities and thermal stability of crystalline artemisinin
Cp,solid	429.50	J/mol×K	363.03	Low temperature molar heat capacities and thermal stability of crystalline artemisinin

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[287.49; 817.01]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.26750e+02
Coefficient B			2.45376e+00
Coefficient C			-2.34290e-03
Coefficient D			9.32900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	287.49	J/mol×K	273.00	Calculated Property
Cp,gas	389.41	J/mol×K	353.78	Calculated Property
Cp,gas	473.67	J/mol×K	434.56	Calculated Property
Cp,gas	543.23	J/mol×K	515.33	Calculated Property
Cp,gas	601.03	J/mol×K	596.11	Calculated Property
Cp,gas	650.03	J/mol×K	676.89	Calculated Property
Cp,gas	693.18	J/mol×K	757.67	Calculated Property
Cp,gas	733.43	J/mol×K	838.44	Calculated Property
Cp,gas	773.72	J/mol×K	919.22	Calculated Property
Cp,gas	817.01	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to ARTEMISININ.

Mixtures

• ARTEMISININ + Carbon dioxide
• ARTEMISININ + Methyl Alcohol
• ARTEMISININ + Acetone
• ARTEMISININ + Cyclohexane
• ARTEMISININ + Ethyl Acetate
• ARTEMISININ + Acetonitrile
• Toluene + ARTEMISININ
• ARTEMISININ + Trichloromethane
• ARTEMISININ + Ethanol + Water
• ARTEMISININ + Ethanol
• ARTEMISININ + 1-Butanol
• ARTEMISININ + Isopropyl acetate
• n-Hexane + ARTEMISININ
• ARTEMISININ + Heptane
• ARTEMISININ + Propane, 2-methoxy-2-methyl-
• ARTEMISININ + 2-Butanone
• ARTEMISININ + Acetone + Ethyl Acetate
• ARTEMISININ + Ethanol + Ethyl Acetate
• ARTEMISININ + Ethanol + Acetone

Sources

• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Measurement and correlation of solubility of artemisinin in supercritical carbon dioxide
• Low temperature molar heat capacities and thermal stability of crystalline artemisinin
• Solubility of Artemisinin in Supercritical Carbon Dioxide
• Experimental Determination and Correlation of Artemisinin s Solubility in Supercritical Carbon Dioxide
• Solubility of Artemisinin in Ethanol + Water from (278.2 to 343.2) K
• Solubility of Artemisinin in Different Single and Binary Solvent Mixtures Between (284.15 and 323.15) K and NRTL Interaction Parameters
• Standard Molar Enthalpies of Formation and Thermal Stabilities of Artemisinin and Its Two Derivatives: Artemether and Artesunate
• Solubility of Artemisinin in Seven Different Pure Solvents from (283.15 to 323.15) K
• Joback Method
• McGowan Method
• NIST Webbook

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