Chemical Properties of 4-TERT-BUTYL-O-PHENYLENE DIACETATE

InChI

InChI=1S/C14H18O4/c1-9(15)17-12-7-6-11(14(3,4)5)8-13(12)18-10(2)16/h6-8H,1-5H3

InChI Key

NBDHUKNVZPIOEW-UHFFFAOYSA-N

Formula

C14H18O4

SMILES

CC(=O)Oc1ccc(C(C)(C)C)cc1OC(C)=O

Molecular Weight¹

250.29

Other Names

• 2-(Acetyloxy)-4-tert-butylphenyl acetate
• 4-tert-Butyl-1,2-diacetoxybenzene
• 4-tert-Butylcatechol, diacetate

• 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).
• 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, Acentric Factor, 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	[281.53; 634.68]	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			1.12000e+01
Coefficient B			1.15220e+00
Coefficient C			-6.17520e-04
Coefficient D			8.88000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	281.53	J/mol×K	273.00	Calculated Property
Cp,gas	345.47	J/mol×K	353.78	Calculated Property
Cp,gas	402.57	J/mol×K	434.56	Calculated Property
Cp,gas	453.13	J/mol×K	515.33	Calculated Property
Cp,gas	497.41	J/mol×K	596.11	Calculated Property
Cp,gas	535.72	J/mol×K	676.89	Calculated Property
Cp,gas	568.31	J/mol×K	757.67	Calculated Property
Cp,gas	595.49	J/mol×K	838.44	Calculated Property
Cp,gas	617.51	J/mol×K	919.22	Calculated Property
Cp,gas	634.68	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013769; 0.0001121]	Pa×s	[386.08; 618.17]	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			-1.32694e+01
Coefficient B			2.57956e+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.			386.08
Temperature range, max.			618.17
η	0.0013769	Pa×s	386.08	Calculated Property
η	0.0009062	Pa×s	411.87	Calculated Property
η	0.0006265	Pa×s	437.65	Calculated Property
η	0.0004513	Pa×s	463.44	Calculated Property
η	0.0003366	Pa×s	489.23	Calculated Property
η	0.0002585	Pa×s	515.02	Calculated Property
η	0.0002036	Pa×s	540.80	Calculated Property
η	0.0001638	Pa×s	566.59	Calculated Property
η	0.0001344	Pa×s	592.38	Calculated Property
η	0.0001121	Pa×s	618.17	Calculated Property

Similar Compounds

Find more compounds similar to 4-TERT-BUTYL-O-PHENYLENE DIACETATE.

Sources

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

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