Chemical Properties of 4-Chromanol

InChI

InChI=1S/C9H10O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4,8,10H,5-6H2

InChI Key

MGSHXMOLUWTMGP-UHFFFAOYSA-N

Formula

C9H10O2

SMILES

OC1CCOc2ccccc21

Molecular Weight¹

150.18

Other Names

• 2H-1-Benzopyran-4-ol, 3,4-dihydro-
• 3,4-dihydro-2H-1-benzopyran-4-ol
• 4-Hydroxychroman
• Chroman-4-ol
• Chromanol

• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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	[143.23; 381.79]	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			-5.76500e+01
Coefficient B			8.92700e-01
Coefficient C			-6.20260e-04
Coefficient D			1.67000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	143.23	J/mol×K	273.00	Calculated Property
Cp,gas	187.93	J/mol×K	353.78	Calculated Property
Cp,gas	226.85	J/mol×K	434.56	Calculated Property
Cp,gas	260.52	J/mol×K	515.33	Calculated Property
Cp,gas	289.47	J/mol×K	596.11	Calculated Property
Cp,gas	314.21	J/mol×K	676.89	Calculated Property
Cp,gas	335.29	J/mol×K	757.67	Calculated Property
Cp,gas	353.23	J/mol×K	838.44	Calculated Property
Cp,gas	368.55	J/mol×K	919.22	Calculated Property
Cp,gas	381.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0058458; 0.0002128]	Pa×s	[331.94; 548.68]	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			-1.35292e+01
Coefficient B			2.78403e+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.			331.94
Temperature range, max.			548.68
η	0.0058458	Pa×s	331.94	Calculated Property
η	0.0033148	Pa×s	356.02	Calculated Property
η	0.0020197	Pa×s	380.10	Calculated Property
η	0.0013055	Pa×s	404.19	Calculated Property
η	0.0008862	Pa×s	428.27	Calculated Property
η	0.0006270	Pa×s	452.35	Calculated Property
η	0.0004593	Pa×s	476.43	Calculated Property
η	0.0003468	Pa×s	500.52	Calculated Property
η	0.0002686	Pa×s	524.60	Calculated Property
η	0.0002128	Pa×s	548.68	Calculated Property

Similar Compounds

Find more compounds similar to 4-Chromanol.

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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