Chemical Properties of Dihydroartemisinic aldehyde, isomer # 2

InChI

InChI=1S/C15H24O/c1-10-4-6-13-11(2)5-7-14(12(3)9-16)15(13)8-10/h8-9,11-15H,4-7H2,1-3H3/t11-,12?,13+,14+,15+/m1/s1

InChI Key

PIUSZJFEZXYOAT-OKMQTDMMSA-N

Formula

C15H24O

SMILES

CC1=C[C@H]2[C@@H](CC1)[C@H](C)CC[C@H]2C(C)C=O

Molecular Weight¹

220.36

• 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 : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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	[262.44; 730.08]	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			-8.80400e+01
Coefficient B			1.50416e+00
Coefficient C			-8.52640e-04
Coefficient D			1.66600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	262.44	J/mol×K	273.00	Calculated Property
Cp,gas	344.76	J/mol×K	353.78	Calculated Property
Cp,gas	418.26	J/mol×K	434.56	Calculated Property
Cp,gas	483.47	J/mol×K	515.33	Calculated Property
Cp,gas	540.91	J/mol×K	596.11	Calculated Property
Cp,gas	591.12	J/mol×K	676.89	Calculated Property
Cp,gas	634.61	J/mol×K	757.67	Calculated Property
Cp,gas	671.91	J/mol×K	838.44	Calculated Property
Cp,gas	703.56	J/mol×K	919.22	Calculated Property
Cp,gas	730.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0029027; 0.0005414]	Pa×s	[312.41; 581.96]	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			-9.46776e+00
Coefficient B			1.13269e+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.			312.41
Temperature range, max.			581.96
η	0.0029027	Pa×s	312.41	Calculated Property
η	0.0021138	Pa×s	342.36	Calculated Property
η	0.0016198	Pa×s	372.31	Calculated Property
η	0.0012915	Pa×s	402.26	Calculated Property
η	0.0010626	Pa×s	432.21	Calculated Property
η	0.0008966	Pa×s	462.16	Calculated Property
η	0.0007724	Pa×s	492.11	Calculated Property
η	0.0006768	Pa×s	522.06	Calculated Property
η	0.0006017	Pa×s	552.01	Calculated Property
η	0.0005414	Pa×s	581.96	Calculated Property

Similar Compounds

Find more compounds similar to Dihydroartemisinic aldehyde, isomer # 2.

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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