Chemical Properties of 2H-1-Benzopyran, 3,4-dihydro-2-phenyl- (CAS 494-12-2)

InChI

InChI=1S/C15H14O/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h1-9,15H,10-11H2

InChI Key

QOLIPNRNLBQTAU-UHFFFAOYSA-N

Formula

C15H14O

SMILES

c1ccc(C2CCc3ccccc3O2)cc1

Molecular Weight¹

210.27

CAS

494-12-2

Other Names

• 2-Phenylchroman
• 3,4-Dihydro-2-phenyl-2H-1-benzopyran
• Flavan

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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, Standard Gibbs free energy of formation, Acentric Factor 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	[200.75; 554.14]	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			-1.02300e+02
Coefficient B			1.34980e+00
Coefficient C			-9.47460e-04
Coefficient D			2.54100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	200.75	J/mol×K	273.00	Calculated Property
Cp,gas	267.90	J/mol×K	353.78	Calculated Property
Cp,gas	326.20	J/mol×K	434.56	Calculated Property
Cp,gas	376.46	J/mol×K	515.33	Calculated Property
Cp,gas	419.48	J/mol×K	596.11	Calculated Property
Cp,gas	456.06	J/mol×K	676.89	Calculated Property
Cp,gas	487.02	J/mol×K	757.67	Calculated Property
Cp,gas	513.15	J/mol×K	838.44	Calculated Property
Cp,gas	535.25	J/mol×K	919.22	Calculated Property
Cp,gas	554.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0039727; 0.0003074]	Pa×s	[319.45; 628.36]	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			-1.07336e+01
Coefficient B			1.66282e+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.			319.45
Temperature range, max.			628.36
η	0.0039727	Pa×s	319.45	Calculated Property
η	0.0023975	Pa×s	353.77	Calculated Property
η	0.0015820	Pa×s	388.10	Calculated Property
η	0.0011169	Pa×s	422.42	Calculated Property
η	0.0008309	Pa×s	456.75	Calculated Property
η	0.0006442	Pa×s	491.07	Calculated Property
η	0.0005164	Pa×s	525.39	Calculated Property
η	0.0004253	Pa×s	559.72	Calculated Property
η	0.0003582	Pa×s	594.04	Calculated Property
η	0.0003074	Pa×s	628.36	Calculated Property

Similar Compounds

Find more compounds similar to 2H-1-Benzopyran, 3,4-dihydro-2-phenyl-.

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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