Chemical Properties of Tatarinoid B (CAS 1229005-36-0)

InChI

InChI=1S/C12H16O5/c1-7(13)12(14)8-5-10(16-3)11(17-4)6-9(8)15-2/h5-6,12,14H,1-4H3

InChI Key

LVZSTCWLAWIFNV-UHFFFAOYSA-N

Formula

C12H16O5

SMILES

COc1cc(OC)c(C(O)C(C)=O)cc1OC

Molecular Weight¹

240.25

CAS

1229005-36-0

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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	[269.77; 574.50]	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			8.84400e+01
Coefficient B			7.08780e-01
Coefficient C			-1.40980e-04
Coefficient D			-8.17400e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	269.77	J/mol×K	273.00	Calculated Property
Cp,gas	317.93	J/mol×K	353.78	Calculated Property
Cp,gas	363.11	J/mol×K	434.56	Calculated Property
Cp,gas	405.07	J/mol×K	515.33	Calculated Property
Cp,gas	443.54	J/mol×K	596.11	Calculated Property
Cp,gas	478.26	J/mol×K	676.89	Calculated Property
Cp,gas	508.98	J/mol×K	757.67	Calculated Property
Cp,gas	535.43	J/mol×K	838.44	Calculated Property
Cp,gas	557.35	J/mol×K	919.22	Calculated Property
Cp,gas	574.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005228; 0.0000436]	Pa×s	[451.42; 648.37]	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			-1.57303e+01
Coefficient B			3.68987e+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.			451.42
Temperature range, max.			648.37
η	0.0005228	Pa×s	451.42	Calculated Property
η	0.0003582	Pa×s	473.30	Calculated Property
η	0.0002538	Pa×s	495.19	Calculated Property
η	0.0001852	Pa×s	517.07	Calculated Property
η	0.0001386	Pa×s	538.95	Calculated Property
η	0.0001061	Pa×s	560.84	Calculated Property
η	0.0000829	Pa×s	582.72	Calculated Property
η	0.0000659	Pa×s	604.61	Calculated Property
η	0.0000532	Pa×s	626.49	Calculated Property
η	0.0000436	Pa×s	648.37	Calculated Property

Similar Compounds

Find more compounds similar to Tatarinoid B.

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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