Chemical Properties of Carbonic acid, butyl 3,5-dimethylphenyl ester

InChI

InChI=1S/C13H18O3/c1-4-5-6-15-13(14)16-12-8-10(2)7-11(3)9-12/h7-9H,4-6H2,1-3H3

InChI Key

ZUSVDPQJOPHNRZ-UHFFFAOYSA-N

Formula

C13H18O3

SMILES

CCCCOC(=O)Oc1cc(C)cc(C)c1

Molecular Weight¹

222.28

• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[260.85; 592.01]	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			3.66730e+01
Coefficient B			9.22960e-01
Coefficient C			-3.74920e-04
Coefficient D			7.30000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	260.85	J/mol×K	273.00	Calculated Property
Cp,gas	316.59	J/mol×K	353.78	Calculated Property
Cp,gas	367.55	J/mol×K	434.56	Calculated Property
Cp,gas	413.74	J/mol×K	515.33	Calculated Property
Cp,gas	455.18	J/mol×K	596.11	Calculated Property
Cp,gas	491.90	J/mol×K	676.89	Calculated Property
Cp,gas	523.92	J/mol×K	757.67	Calculated Property
Cp,gas	551.26	J/mol×K	838.44	Calculated Property
Cp,gas	573.95	J/mol×K	919.22	Calculated Property
Cp,gas	592.01	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012792; 0.0001495]	Pa×s	[352.29; 570.51]	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			-1.22740e+01
Coefficient B			1.97723e+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.			352.29
Temperature range, max.			570.51
η	0.0012792	Pa×s	352.29	Calculated Property
η	0.0008912	Pa×s	376.54	Calculated Property
η	0.0006486	Pa×s	400.78	Calculated Property
η	0.0004895	Pa×s	425.03	Calculated Property
η	0.0003808	Pa×s	449.28	Calculated Property
η	0.0003040	Pa×s	473.52	Calculated Property
η	0.0002481	Pa×s	497.77	Calculated Property
η	0.0002063	Pa×s	522.02	Calculated Property
η	0.0001743	Pa×s	546.26	Calculated Property
η	0.0001495	Pa×s	570.51	Calculated Property

Similar Compounds

Find more compounds similar to Carbonic acid, butyl 3,5-dimethylphenyl ester.

Sources

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

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