Chemical Properties of 1,3-Dioxane, 4-phenyl- (CAS 772-00-9)

InChI

InChI=1S/C10H12O2/c1-2-4-9(5-3-1)10-6-7-11-8-12-10/h1-5,10H,6-8H2

InChI Key

RCJRILMVFLGCJY-UHFFFAOYSA-N

Formula

C10H12O2

SMILES

c1ccc(C2CCOCO2)cc1

Molecular Weight¹

164.20

CAS

772-00-9

Other Names

• 4-Phenyl-1,3-dioxane
• 4-Phenyl-m-dioxane
• m-Dioxane, 4-phenyl-

• 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	[156.97; 440.83]	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			-7.10700e+01
Coefficient B			9.91000e-01
Coefficient C			-6.04600e-04
Coefficient D			1.25500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	156.97	J/mol×K	273.00	Calculated Property
Cp,gas	209.41	J/mol×K	353.78	Calculated Property
Cp,gas	255.70	J/mol×K	434.56	Calculated Property
Cp,gas	296.24	J/mol×K	515.33	Calculated Property
Cp,gas	331.42	J/mol×K	596.11	Calculated Property
Cp,gas	361.63	J/mol×K	676.89	Calculated Property
Cp,gas	387.29	J/mol×K	757.67	Calculated Property
Cp,gas	408.77	J/mol×K	838.44	Calculated Property
Cp,gas	426.49	J/mol×K	919.22	Calculated Property
Cp,gas	440.83	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0049478; 0.0002470]	Pa×s	[289.40; 541.46]	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			-1.17479e+01
Coefficient B			1.86347e+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.			289.40
Temperature range, max.			541.46
η	0.0049478	Pa×s	289.40	Calculated Property
η	0.0028033	Pa×s	317.41	Calculated Property
η	0.0017416	Pa×s	345.41	Calculated Property
η	0.0011620	Pa×s	373.42	Calculated Property
η	0.0008204	Pa×s	401.42	Calculated Property
η	0.0006061	Pa×s	429.43	Calculated Property
η	0.0004647	Pa×s	457.44	Calculated Property
η	0.0003674	Pa×s	485.44	Calculated Property
η	0.0002980	Pa×s	513.45	Calculated Property
η	0.0002470	Pa×s	541.46	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Dioxane, 4-phenyl-.

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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