Chemical Properties of 3-(2,4-dimethoxyphenyl)chroman-7-ol (CAS 71831-00-0)

InChI

InChI=1S/C17H18O4/c1-19-14-5-6-15(17(9-14)20-2)12-7-11-3-4-13(18)8-16(11)21-10-12/h3-6,8-9,12,18H,7,10H2,1-2H3

InChI Key

TUXCLJQCYVCGDW-UHFFFAOYSA-N

Formula

C17H18O4

SMILES

COc1ccc(C2COc3cc(O)ccc3C2)c(OC)c1

Molecular Weight¹

286.32

CAS

71831-00-0

• 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).
• 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
ΔfG°	-113.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-462.67	kJ/mol	Joback Calculated Property
ΔfusH°	38.87	kJ/mol	Joback Calculated Property
ΔvapH°	82.40	kJ/mol	Joback Calculated Property
log10WS	-3.65		Crippen Calculated Property
logPoct/wat	3.128		Crippen Calculated Property
McVol	215.490	ml/mol	McGowan Calculated Property
Pc	2571.50	kPa	Joback Calculated Property
Inp	[2687.90; 2687.90]
Inp	2687.90		NIST
Inp	2687.90		NIST
Tboil	820.08	K	Joback Calculated Property
Tc	1067.06	K	Joback Calculated Property
Tfus	568.92	K	Joback Calculated Property
Vc	0.744	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[650.35; 729.33]	J/mol×K	[820.08; 1067.06]
Cp,gas	650.35	J/mol×K	820.08	Joback Calculated Property
Cp,gas	665.76	J/mol×K	861.24	Joback Calculated Property
Cp,gas	680.13	J/mol×K	902.41	Joback Calculated Property
Cp,gas	693.57	J/mol×K	943.57	Joback Calculated Property
Cp,gas	706.17	J/mol×K	984.74	Joback Calculated Property
Cp,gas	718.06	J/mol×K	1025.90	Joback Calculated Property
Cp,gas	729.33	J/mol×K	1067.06	Joback Calculated Property
η	[0.0000090; 0.0001023]	Pa×s	[568.92; 820.08]
η	0.0001023	Pa×s	568.92	Joback Calculated Property
η	0.0000595	Pa×s	610.78	Joback Calculated Property
η	0.0000370	Pa×s	652.64	Joback Calculated Property
η	0.0000244	Pa×s	694.50	Joback Calculated Property
η	0.0000169	Pa×s	736.36	Joback Calculated Property
η	0.0000122	Pa×s	778.22	Joback Calculated Property
η	0.0000090	Pa×s	820.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-(2,4-dimethoxyphenyl)chroman-7-ol.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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