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

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.8284		Relay (1.0) Calculated Property
ΔfG°	-200.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-441.85	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.04	kJ/mol	Joback Calculated Property
ΔvapH°	154.44	kJ/mol	Relay (1.0) Calculated Property
IE	7.87	eV	Relay (1.0) Calculated Property
log10WS	-2.58		Relay (1.0) Calculated Property
logPoct/wat	2.307		Crippen Calculated Property
McVol	187.310	ml/mol	McGowan Calculated Property
Pc	4397.41	kPa	Joback Calculated Property
Inp	[2605.00; 2639.00]
Inp	2605.00		NIST
Inp	2639.00		NIST
Tboil	662.85	K	Relay (1.0) Calculated Property
Tc	1017.65	K	Relay (1.0) Calculated Property
Tfus	457.62	K	Relay (1.0) Calculated Property
Vc	0.659	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[590.58; 667.75]	J/mol×K	[887.65; 1135.50]
Cp,gas	590.58	J/mol×K	887.65	Joback Calculated Property
Cp,gas	603.04	J/mol×K	928.96	Joback Calculated Property
Cp,gas	615.38	J/mol×K	970.27	Joback Calculated Property
Cp,gas	627.81	J/mol×K	1011.58	Joback Calculated Property
Cp,gas	640.54	J/mol×K	1052.88	Joback Calculated Property
Cp,gas	653.79	J/mol×K	1094.19	Joback Calculated Property
Cp,gas	667.75	J/mol×K	1135.50	Joback Calculated Property
η	[0.0000001; 0.0000046]	Pa×s	[645.18; 887.65]
η	0.0000046	Pa×s	645.18	Joback Calculated Property
η	0.0000022	Pa×s	685.59	Joback Calculated Property
η	0.0000011	Pa×s	726.00	Joback Calculated Property
η	0.0000006	Pa×s	766.42	Joback Calculated Property
η	0.0000004	Pa×s	806.83	Joback Calculated Property
η	0.0000002	Pa×s	847.24	Joback Calculated Property
η	0.0000001	Pa×s	887.65	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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