Chemical Properties of 3-(2,4-dimethoxyphenyl)chroman-7-ol

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

286.33

• 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°	38.87	kJ/mol	Joback Calculated Property
logPoct/wat	3.128		Crippen Calculated Property
McVol	215.490	ml/mol	McGowan Calculated Property
Inp	[2687.90; 2687.90]
Inp	2687.90		NIST
Inp	2687.90		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	[295.98; 710.66]	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			-3.34400e+01
Coefficient B			1.44904e+00
Coefficient C			-9.56540e-04
Coefficient D			2.51600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	295.98	J/mol×K	273.00	Calculated Property
Cp,gas	370.62	J/mol×K	353.78	Calculated Property
Cp,gas	436.26	J/mol×K	434.56	Calculated Property
Cp,gas	493.70	J/mol×K	515.33	Calculated Property
Cp,gas	543.74	J/mol×K	596.11	Calculated Property
Cp,gas	587.16	J/mol×K	676.89	Calculated Property
Cp,gas	624.77	J/mol×K	757.67	Calculated Property
Cp,gas	657.36	J/mol×K	838.44	Calculated Property
Cp,gas	685.72	J/mol×K	919.22	Calculated Property
Cp,gas	710.66	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001023; 0.0000155]	Pa×s	[568.92; 747.13]	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			-1.71069e+01
Coefficient B			4.50558e+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.			568.92
Temperature range, max.			747.13
η	0.0001023	Pa×s	568.92	Calculated Property
η	0.0000784	Pa×s	588.72	Calculated Property
η	0.0000611	Pa×s	608.52	Calculated Property
η	0.0000484	Pa×s	628.32	Calculated Property
η	0.0000389	Pa×s	648.12	Calculated Property
η	0.0000316	Pa×s	667.92	Calculated Property
η	0.0000261	Pa×s	687.73	Calculated Property
η	0.0000217	Pa×s	707.53	Calculated Property
η	0.0000182	Pa×s	727.33	Calculated Property
η	0.0000155	Pa×s	747.13	Calculated Property

Similar Compounds

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

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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