Chemical Properties of 2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(2-hydroxy-4-methoxyphenyl)-

InChI

InChI=1S/C16H16O4/c1-19-13-4-5-14(15(18)8-13)11-6-10-2-3-12(17)7-16(10)20-9-11/h2-5,7-8,11,17-18H,6,9H2,1H3

InChI Key

XRVFNNUXNVWYTI-UHFFFAOYSA-N

Formula

C16H16O4

SMILES

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

Molecular Weight¹

272.30

Other Names

• 3-(2-Hydroxy-4-methoxyphenyl)chroman-7-ol

• 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°	41.27	kJ/mol	Joback Calculated Property
logPoct/wat	2.825		Crippen Calculated Property
McVol	201.400	ml/mol	McGowan Calculated Property
Inp	[2802.30; 2802.30]
Inp	2802.30		NIST
Inp	2802.30		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	[273.70; 666.03]	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			-8.12500e+01
Coefficient B			1.63132e+00
Coefficient C			-1.33654e-03
Coefficient D			4.52500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	273.70	J/mol×K	273.00	Calculated Property
Cp,gas	348.63	J/mol×K	353.78	Calculated Property
Cp,gas	412.39	J/mol×K	434.56	Calculated Property
Cp,gas	466.41	J/mol×K	515.33	Calculated Property
Cp,gas	512.11	J/mol×K	596.11	Calculated Property
Cp,gas	550.93	J/mol×K	676.89	Calculated Property
Cp,gas	584.31	J/mol×K	757.67	Calculated Property
Cp,gas	613.66	J/mol×K	838.44	Calculated Property
Cp,gas	640.42	J/mol×K	919.22	Calculated Property
Cp,gas	666.03	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000095; 0.0000013]	Pa×s	[634.62; 777.88]	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			-2.23661e+01
Coefficient B			6.85337e+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.			634.62
Temperature range, max.			777.88
η	0.0000095	Pa×s	634.62	Calculated Property
η	0.0000073	Pa×s	650.54	Calculated Property
η	0.0000057	Pa×s	666.46	Calculated Property
η	0.0000044	Pa×s	682.37	Calculated Property
η	0.0000035	Pa×s	698.29	Calculated Property
η	0.0000028	Pa×s	714.21	Calculated Property
η	0.0000023	Pa×s	730.13	Calculated Property
η	0.0000019	Pa×s	746.04	Calculated Property
η	0.0000016	Pa×s	761.96	Calculated Property
η	0.0000013	Pa×s	777.88	Calculated Property

Similar Compounds

Find more compounds similar to 2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(2-hydroxy-4-methoxyphenyl)-.

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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