Chemical Properties of Carbonic acid, O(1)-benzyl-O(2)-ethyl(ester) (CAS 22768-02-1)

InChI

InChI=1S/C10H12O3/c1-2-12-10(11)13-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3

InChI Key

FJLGSLSITVQVRJ-UHFFFAOYSA-N

Formula

C10H12O3

SMILES

CCOC(=O)OCc1ccccc1

Molecular Weight¹

180.20

CAS

22768-02-1

Other Names

• Benzyl ethyl carbonate

• 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).
• 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

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	[192.10; 443.32]	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			1.08020e+01
Coefficient B			7.56920e-01
Coefficient C			-3.45800e-04
Coefficient D			2.14000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	192.10	J/mol×K	273.00	Calculated Property
Cp,gas	236.25	J/mol×K	353.78	Calculated Property
Cp,gas	276.18	J/mol×K	434.56	Calculated Property
Cp,gas	311.96	J/mol×K	515.33	Calculated Property
Cp,gas	343.66	J/mol×K	596.11	Calculated Property
Cp,gas	371.35	J/mol×K	676.89	Calculated Property
Cp,gas	395.09	J/mol×K	757.67	Calculated Property
Cp,gas	414.96	J/mol×K	838.44	Calculated Property
Cp,gas	431.01	J/mol×K	919.22	Calculated Property
Cp,gas	443.32	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0026056; 0.0001801]	Pa×s	[293.44; 520.51]	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			-1.20749e+01
Coefficient B			1.79727e+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.			293.44
Temperature range, max.			520.51
η	0.0026056	Pa×s	293.44	Calculated Property
η	0.0016044	Pa×s	318.67	Calculated Property
η	0.0010608	Pa×s	343.90	Calculated Property
η	0.0007421	Pa×s	369.13	Calculated Property
η	0.0005435	Pa×s	394.36	Calculated Property
η	0.0004132	Pa×s	419.59	Calculated Property
η	0.0003241	Pa×s	444.82	Calculated Property
η	0.0002609	Pa×s	470.05	Calculated Property
η	0.0002147	Pa×s	495.28	Calculated Property
η	0.0001801	Pa×s	520.51	Calculated Property

Similar Compounds

Find more compounds similar to Carbonic acid, O(1)-benzyl-O(2)-ethyl(ester).

Sources

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

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