Chemical Properties of 2H-1-Benzopyran, 3,4-dihydro-4-(4-hydroxyphenyl)-2,2,4-trimethyl-

InChI

InChI=1S/C18H20O2/c1-17(2)12-18(3,13-8-10-14(19)11-9-13)15-6-4-5-7-16(15)20-17/h4-11,19H,12H2,1-3H3

InChI Key

KXYDGGNWZUHESZ-UHFFFAOYSA-N

Formula

C18H20O2

SMILES

CC1(C)CC(C)(c2ccc(O)cc2)c2ccccc2O1

Molecular Weight¹

268.36

Other Names

• 2,2,4-Trimethyl-4-(4'-hydroxyphenyl)chroman
• 4-(4'-Hydroxyphenyl)-2,2,4-trimethylchroman
• 4-(4-Hydroxyphenyl)-2,2,4-trimethylchroman
• 4-(4-Hydroxyphenyl)-2,2,4-trimethylchromane
• 4-p-Hydroxyphenyl-2,2,4-trimethylchroman
• Chroman I
• Dianin's compound
• NSC 39757
• Phenol, 4-(3,4-dihydro-2,2,4-trimethyl-2H-1-benzopyran-4-yl)-
• Phenol, p-(2,2,4-trimethyl-4-chromanyl)-
• p-(2,2,4-Trimethyl-4-chromanyl)phenol
• p-(3,4-dihydro-2,2,4-trimethyl-2H-1-benzopyran-4-yl)phenol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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	[275.69; 752.65]	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			-2.07990e+02
Coefficient B			2.34676e+00
Coefficient C			-2.37682e-03
Coefficient D			9.90700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	275.69	J/mol×K	273.00	Calculated Property
Cp,gas	368.63	J/mol×K	353.78	Calculated Property
Cp,gas	444.27	J/mol×K	434.56	Calculated Property
Cp,gas	505.75	J/mol×K	515.33	Calculated Property
Cp,gas	556.20	J/mol×K	596.11	Calculated Property
Cp,gas	598.75	J/mol×K	676.89	Calculated Property
Cp,gas	636.54	J/mol×K	757.67	Calculated Property
Cp,gas	672.70	J/mol×K	838.44	Calculated Property
Cp,gas	710.35	J/mol×K	919.22	Calculated Property
Cp,gas	752.65	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2H-1-Benzopyran, 3,4-dihydro-4-(4-hydroxyphenyl)-2,2,4-trimethyl-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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