Chemical Properties of Ethylene glycol, O-acetyl-, O'-(2-acetyloxy)benzoate

InChI

InChI=1S/C13H14O6/c1-9(14)17-7-8-18-13(16)11-5-3-4-6-12(11)19-10(2)15/h3-6H,7-8H2,1-2H3

InChI Key

LCTKGQSNPMBONU-UHFFFAOYSA-N

Formula

C13H14O6

SMILES

CC(=O)OCCOC(=O)c1ccccc1OC(C)=O

Molecular Weight¹

266.25

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, 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	[275.57; 592.77]	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			4.76920e+01
Coefficient B			9.36040e-01
Coefficient C			-3.63760e-04
Coefficient D			-2.72000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	275.57	J/mol×K	273.00	Calculated Property
Cp,gas	332.11	J/mol×K	353.78	Calculated Property
Cp,gas	383.53	J/mol×K	434.56	Calculated Property
Cp,gas	429.74	J/mol×K	515.33	Calculated Property
Cp,gas	470.65	J/mol×K	596.11	Calculated Property
Cp,gas	506.18	J/mol×K	676.89	Calculated Property
Cp,gas	536.25	J/mol×K	757.67	Calculated Property
Cp,gas	560.76	J/mol×K	838.44	Calculated Property
Cp,gas	579.63	J/mol×K	919.22	Calculated Property
Cp,gas	592.77	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012841; 0.0001092]	Pa×s	[402.20; 637.46]	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			-1.33356e+01
Coefficient B			2.68584e+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.			402.20
Temperature range, max.			637.46
η	0.0012841	Pa×s	402.20	Calculated Property
η	0.0008543	Pa×s	428.34	Calculated Property
η	0.0005956	Pa×s	454.48	Calculated Property
η	0.0004319	Pa×s	480.62	Calculated Property
η	0.0003238	Pa×s	506.76	Calculated Property
η	0.0002496	Pa×s	532.90	Calculated Property
η	0.0001972	Pa×s	559.04	Calculated Property
η	0.0001591	Pa×s	585.18	Calculated Property
η	0.0001308	Pa×s	611.32	Calculated Property
η	0.0001092	Pa×s	637.46	Calculated Property

Similar Compounds

Find more compounds similar to Ethylene glycol, O-acetyl-, O'-(2-acetyloxy)benzoate.

Sources

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

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