Chemical Properties of Tetrahydrodaidzein (cis or trans isomer), TMS

InChI

InChI=1S/C15H14O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-7,13,15-18H,8H2

InChI Key

YOSDNAMJVOLJKI-UHFFFAOYSA-N

Formula

C15H14O4

SMILES

Oc1ccc(C2COc3cc(O)ccc3C2O)cc1

Molecular Weight¹

258.27

• 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

Property	Value	Unit	Source
ΔfusH°	43.04	kJ/mol	Joback Calculated Property
logPoct/wat	2.307		Crippen Calculated Property
McVol	187.310	ml/mol	McGowan Calculated Property
Inp	[2605.00; 2639.00]
Inp	2605.00		NIST
Inp	2605.00		NIST
Inp	2639.00		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	[249.29; 624.31]	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			-1.08910e+02
Coefficient B			1.66650e+00
Coefficient C			-1.43518e-03
Coefficient D			5.01900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	249.29	J/mol×K	273.00	Calculated Property
Cp,gas	323.26	J/mol×K	353.78	Calculated Property
Cp,gas	385.45	J/mol×K	434.56	Calculated Property
Cp,gas	437.44	J/mol×K	515.33	Calculated Property
Cp,gas	480.84	J/mol×K	596.11	Calculated Property
Cp,gas	517.21	J/mol×K	676.89	Calculated Property
Cp,gas	548.16	J/mol×K	757.67	Calculated Property
Cp,gas	575.27	J/mol×K	838.44	Calculated Property
Cp,gas	600.12	J/mol×K	919.22	Calculated Property
Cp,gas	624.31	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000046; 0.0000004]	Pa×s	[645.18; 795.03]	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			-2.49360e+01
Coefficient B			8.16028e+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.			645.18
Temperature range, max.			795.03
η	0.0000046	Pa×s	645.18	Calculated Property
η	0.0000034	Pa×s	661.83	Calculated Property
η	0.0000025	Pa×s	678.48	Calculated Property
η	0.0000019	Pa×s	695.13	Calculated Property
η	0.0000014	Pa×s	711.78	Calculated Property
η	0.0000011	Pa×s	728.43	Calculated Property
η	0.0000008	Pa×s	745.08	Calculated Property
η	0.0000007	Pa×s	761.73	Calculated Property
η	0.0000005	Pa×s	778.38	Calculated Property
η	0.0000004	Pa×s	795.03	Calculated Property

Similar Compounds

Find more compounds similar to Tetrahydrodaidzein (cis or trans isomer), TMS.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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