Chemical Properties of Benzene, (triethoxymethyl)- (CAS 1663-61-2)

InChI

InChI=1S/C13H20O3/c1-4-14-13(15-5-2,16-6-3)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3

InChI Key

BQFPCTXLBRVFJL-UHFFFAOYSA-N

Formula

C13H20O3

SMILES

CCOC(OCC)(OCC)c1ccccc1

Molecular Weight¹

224.30

CAS

1663-61-2

Other Names

• Orthobenzoic acid, triethyl ester
• Ethyl orthobenzoate
• Triethyl orthobenzoate
• (triethoxymethyl)benzene

• ω : Acentric Factor.
• 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).
• P_c : Critical Pressure (kPa).
• 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 Volume, Standard Gibbs free energy of formation 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	[268.76; 628.45]	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			9.19300e+00
Coefficient B			1.09616e+00
Coefficient C			-5.53400e-04
Coefficient D			7.65000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	268.76	J/mol×K	273.00	Calculated Property
Cp,gas	331.11	J/mol×K	353.78	Calculated Property
Cp,gas	387.31	J/mol×K	434.56	Calculated Property
Cp,gas	437.58	J/mol×K	515.33	Calculated Property
Cp,gas	482.18	J/mol×K	596.11	Calculated Property
Cp,gas	521.34	J/mol×K	676.89	Calculated Property
Cp,gas	555.31	J/mol×K	757.67	Calculated Property
Cp,gas	584.32	J/mol×K	838.44	Calculated Property
Cp,gas	608.62	J/mol×K	919.22	Calculated Property
Cp,gas	628.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016002; 0.0001159]	Pa×s	[331.80; 553.50]	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			-1.29920e+01
Coefficient B			2.17475e+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.			331.80
Temperature range, max.			553.50
η	0.0016002	Pa×s	331.80	Calculated Property
η	0.0010173	Pa×s	356.43	Calculated Property
η	0.0006857	Pa×s	381.07	Calculated Property
η	0.0004849	Pa×s	405.70	Calculated Property
η	0.0003568	Pa×s	430.33	Calculated Property
η	0.0002714	Pa×s	454.97	Calculated Property
η	0.0002123	Pa×s	479.60	Calculated Property
η	0.0001701	Pa×s	504.24	Calculated Property
η	0.0001392	Pa×s	528.87	Calculated Property
η	0.0001159	Pa×s	553.50	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, (triethoxymethyl)-.

Sources

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

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