Chemical Properties of apodophyllone

InChI

InChI=1S/C15H22O4/c1-8(2)12(16)11-14(18-6)9(3)13(17-5)10(4)15(11)19-7/h8H,1-7H3

InChI Key

XLMIFOSFHOIPHQ-UHFFFAOYSA-N

Formula

C15H22O4

SMILES

COc1c(C)c(OC)c(C(=O)C(C)C)c(OC)c1C

Molecular Weight¹

266.33

• 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.
• 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	[326.01; 704.52]	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			1.09020e+02
Coefficient B			8.40840e-01
Coefficient C			-1.39700e-04
Coefficient D			-1.05640e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	326.01	J/mol×K	273.00	Calculated Property
Cp,gas	384.33	J/mol×K	353.78	Calculated Property
Cp,gas	439.36	J/mol×K	434.56	Calculated Property
Cp,gas	490.78	J/mol×K	515.33	Calculated Property
Cp,gas	538.23	J/mol×K	596.11	Calculated Property
Cp,gas	581.40	J/mol×K	676.89	Calculated Property
Cp,gas	619.95	J/mol×K	757.67	Calculated Property
Cp,gas	653.54	J/mol×K	838.44	Calculated Property
Cp,gas	681.84	J/mol×K	919.22	Calculated Property
Cp,gas	704.52	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004461; 0.0001061]	Pa×s	[449.45; 642.16]	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			-1.24992e+01
Coefficient B			2.15024e+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.			449.45
Temperature range, max.			642.16
η	0.0004461	Pa×s	449.45	Calculated Property
η	0.0003588	Pa×s	470.86	Calculated Property
η	0.0002942	Pa×s	492.27	Calculated Property
η	0.0002452	Pa×s	513.69	Calculated Property
η	0.0002074	Pa×s	535.10	Calculated Property
η	0.0001777	Pa×s	556.51	Calculated Property
η	0.0001540	Pa×s	577.92	Calculated Property
η	0.0001348	Pa×s	599.33	Calculated Property
η	0.0001191	Pa×s	620.75	Calculated Property
η	0.0001061	Pa×s	642.16	Calculated Property

Similar Compounds

Find more compounds similar to apodophyllone.

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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