Chemical Properties of 1,3-Dioxolane, 2-ethyl-4-((4-phenoxyphenoxy)methyl)- (CAS 63837-33-2)

InChI

InChI=1S/C18H20O4/c1-2-18-20-13-17(22-18)12-19-14-8-10-16(11-9-14)21-15-6-4-3-5-7-15/h3-11,17-18H,2,12-13H2,1H3

InChI Key

ZDOOQPFIGYHZFV-UHFFFAOYSA-N

Formula

C18H20O4

SMILES

CCC1OCC(COc2ccc(Oc3ccccc3)cc2)O1

Molecular Weight¹

300.35

CAS

63837-33-2

Other Names

• 2-Ethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane
• Diofenolan

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-430.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.41	kJ/mol	Joback Calculated Property
ΔvapH°	100.86	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	4.009		Crippen Calculated Property
McVol	229.580	ml/mol	McGowan Calculated Property
Pc	2058.62	kPa	Joback Calculated Property
Inp	[2459.00; 2459.00]
Inp	2459.00		NIST
Inp	2459.00		NIST
Tboil	675.84	K	Relay (1.0) Calculated Property
Tc	897.42	K	Relay (1.0) Calculated Property
Tfus	307.96	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, 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	[309.94; 773.87]	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			-3.58880e+01
Coefficient B			1.46932e+00
Coefficient C			-7.72960e-04
Coefficient D			1.13400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	309.94	J/mol×K	273.00	Calculated Property
Cp,gas	392.20	J/mol×K	353.78	Calculated Property
Cp,gas	465.95	J/mol×K	434.56	Calculated Property
Cp,gas	531.55	J/mol×K	515.33	Calculated Property
Cp,gas	589.34	J/mol×K	596.11	Calculated Property
Cp,gas	639.69	J/mol×K	676.89	Calculated Property
Cp,gas	682.97	J/mol×K	757.67	Calculated Property
Cp,gas	719.51	J/mol×K	838.44	Calculated Property
Cp,gas	749.70	J/mol×K	919.22	Calculated Property
Cp,gas	773.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008967; 0.0001468]	Pa×s	[462.24; 712.38]	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			-1.21700e+01
Coefficient B			2.38203e+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.			462.24
Temperature range, max.			712.38
η	0.0008967	Pa×s	462.24	Calculated Property
η	0.0006694	Pa×s	490.03	Calculated Property
η	0.0005157	Pa×s	517.83	Calculated Property
η	0.0004080	Pa×s	545.62	Calculated Property
η	0.0003302	Pa×s	573.41	Calculated Property
η	0.0002725	Pa×s	601.20	Calculated Property
η	0.0002287	Pa×s	629.00	Calculated Property
η	0.0001949	Pa×s	656.79	Calculated Property
η	0.0001682	Pa×s	684.58	Calculated Property
η	0.0001468	Pa×s	712.38	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Dioxolane, 2-ethyl-4-((4-phenoxyphenoxy)methyl)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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