Chemical Properties of Bis(2-methoxyphenyl) carbonate (CAS 553-17-3)

InChI

InChI=1S/C15H14O5/c1-17-11-7-3-5-9-13(11)19-15(16)20-14-10-6-4-8-12(14)18-2/h3-10H,1-2H3

InChI Key

ORUJFMPWKPVXLZ-UHFFFAOYSA-N

Formula

C15H14O5

SMILES

COc1ccccc1OC(=O)Oc1ccccc1OC

Molecular Weight¹

274.27

CAS

553-17-3

Other Names

• Bis-o-methoxyphenyl carbonate
• Carbonic acid bis(2-methoxyphenyl) ester
• Carbonic acid bis(2-methyoxyphenyl) ester
• Carbonic acid guiacol ether
• Carbonic acid, bis(o-methoxyphenyl) ester
• Di-o-methoxyphenyl carbonate
• Diguaiacyl carbonate
• Duotal
• Guaiacol carbonate
• Guaiacol carbonic acid neutral ester
• Guaiacyl carbonate
• NSC 37138
• Phenol, 2-methoxy-, carbonate (2:1)
• Tussophob

• 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_c : Critical 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 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	[276.83; 613.67]	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			5.19500e+01
Coefficient B			9.07640e-01
Coefficient C			-2.92920e-04
Coefficient D			-5.30000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	276.83	J/mol×K	273.00	Calculated Property
Cp,gas	334.04	J/mol×K	353.78	Calculated Property
Cp,gas	386.71	J/mol×K	434.56	Calculated Property
Cp,gas	434.64	J/mol×K	515.33	Calculated Property
Cp,gas	477.69	J/mol×K	596.11	Calculated Property
Cp,gas	515.67	J/mol×K	676.89	Calculated Property
Cp,gas	548.43	J/mol×K	757.67	Calculated Property
Cp,gas	575.80	J/mol×K	838.44	Calculated Property
Cp,gas	597.60	J/mol×K	919.22	Calculated Property
Cp,gas	613.67	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017416; 0.0000764]	Pa×s	[361.15; 671.62]	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			-1.31179e+01
Coefficient B			2.44315e+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.			361.15
Temperature range, max.			671.62
η	0.0017416	Pa×s	361.15	Calculated Property
η	0.0009656	Pa×s	395.65	Calculated Property
η	0.0005884	Pa×s	430.14	Calculated Property
η	0.0003860	Pa×s	464.64	Calculated Property
η	0.0002684	Pa×s	499.14	Calculated Property
η	0.0001956	Pa×s	533.63	Calculated Property
η	0.0001481	Pa×s	568.13	Calculated Property
η	0.0001158	Pa×s	602.62	Calculated Property
η	0.0000930	Pa×s	637.12	Calculated Property
η	0.0000764	Pa×s	671.62	Calculated Property

Similar Compounds

Find more compounds similar to Bis(2-methoxyphenyl) carbonate.

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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