Chemical Properties of Dihydroartemisinic acid

InChI

InChI=1S/C15H24O2/c1-9-4-6-12-10(2)5-7-13(14(12)8-9)11(3)15(16)17/h8,10-14H,4-7H2,1-3H3,(H,16,17)/t10-,11?,12+,13+,14+/m1/s1

InChI Key

JYGAZEJXUVDYHI-DDMQOUJLSA-N

Formula

C15H24O2

SMILES

CC1=CC2C(CC1)C(C)CCC2C(C)C(=O)O

Molecular Weight¹

236.35

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_p : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	32.07	kJ/mol	Joback Calculated Property
logPoct/wat	3.726		Crippen Calculated Property
McVol	203.630	ml/mol	McGowan Calculated Property
Ip	[3016.00; 3016.00]
Ip	3016.00		NIST
Ip	3016.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[271.15; 750.08]	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			-9.48400e+01
Coefficient B			1.58046e+00
Coefficient C			-9.32240e-04
Coefficient D			1.96700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	271.15	J/mol×K	273.00	Calculated Property
Cp,gas	356.32	J/mol×K	353.78	Calculated Property
Cp,gas	432.06	J/mol×K	434.56	Calculated Property
Cp,gas	498.97	J/mol×K	515.33	Calculated Property
Cp,gas	557.69	J/mol×K	596.11	Calculated Property
Cp,gas	608.83	J/mol×K	676.89	Calculated Property
Cp,gas	653.02	J/mol×K	757.67	Calculated Property
Cp,gas	690.87	J/mol×K	838.44	Calculated Property
Cp,gas	723.02	J/mol×K	919.22	Calculated Property
Cp,gas	750.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018408; 0.0004745]	Pa×s	[431.01; 654.91]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.02627e+01
Coefficient B			1.70900e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			431.01
Temperature range, max.			654.91
η	0.0018408	Pa×s	431.01	Calculated Property
η	0.0014826	Pa×s	455.89	Calculated Property
η	0.0012212	Pa×s	480.77	Calculated Property
η	0.0010252	Pa×s	505.64	Calculated Property
η	0.0008750	Pa×s	530.52	Calculated Property
η	0.0007574	Pa×s	555.40	Calculated Property
η	0.0006638	Pa×s	580.28	Calculated Property
η	0.0005881	Pa×s	605.16	Calculated Property
η	0.0005260	Pa×s	630.04	Calculated Property
η	0.0004745	Pa×s	654.91	Calculated Property

Similar Compounds

Find more compounds similar to Dihydroartemisinic acid.

Sources

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

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