Chemical Properties of Dihydroartemisinic alcohol

InChI

InChI=1S/C15H26O/c1-10-4-6-13-11(2)5-7-14(12(3)9-16)15(13)8-10/h8,11-16H,4-7,9H2,1-3H3/t11-,12?,13+,14+,15+/m0/s1

InChI Key

SIKURLYPEUHJFQ-OKMQTDMMSA-N

Formula

C15H26O

SMILES

CC1=CC2C(C(C)CO)CCC(C)C2CC1

Molecular Weight¹

222.37

• 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_np : Non-polar retention indices.
• I_p : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	26.02	kJ/mol	Joback Calculated Property
logPoct/wat	3.633		Crippen Calculated Property
McVol	202.060	ml/mol	McGowan Calculated Property
Inp	[1755.00; 1755.00]
Inp	1755.00		NIST
Inp	1755.00		NIST
Ip	2419.00		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	[270.03; 757.97]	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			-9.41490e+01
Coefficient B			1.56366e+00
Coefficient C			-8.90040e-04
Coefficient D			1.78500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	270.03	J/mol×K	273.00	Calculated Property
Cp,gas	355.55	J/mol×K	353.78	Calculated Property
Cp,gas	431.92	J/mol×K	434.56	Calculated Property
Cp,gas	499.72	J/mol×K	515.33	Calculated Property
Cp,gas	559.50	J/mol×K	596.11	Calculated Property
Cp,gas	611.84	J/mol×K	676.89	Calculated Property
Cp,gas	657.29	J/mol×K	757.67	Calculated Property
Cp,gas	696.42	J/mol×K	838.44	Calculated Property
Cp,gas	729.79	J/mol×K	919.22	Calculated Property
Cp,gas	757.97	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0069291; 0.0001886]	Pa×s	[331.23; 600.98]	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			-1.30016e+01
Coefficient B			2.65965e+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.			331.23
Temperature range, max.			600.98
η	0.0069291	Pa×s	331.23	Calculated Property
η	0.0035588	Pa×s	361.20	Calculated Property
η	0.0020243	Pa×s	391.17	Calculated Property
η	0.0012478	Pa×s	421.15	Calculated Property
η	0.0008202	Pa×s	451.12	Calculated Property
η	0.0005681	Pa×s	481.09	Calculated Property
η	0.0004108	Pa×s	511.06	Calculated Property
η	0.0003079	Pa×s	541.04	Calculated Property
η	0.0002379	Pa×s	571.01	Calculated Property
η	0.0001886	Pa×s	600.98	Calculated Property

Similar Compounds

Find more compounds similar to Dihydroartemisinic alcohol.

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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