Chemical Properties of Carbonic acid, butyl 4-methoxyphenyl ester

InChI

InChI=1S/C12H16O4/c1-3-4-9-15-12(13)16-11-7-5-10(14-2)6-8-11/h5-8H,3-4,9H2,1-2H3

InChI Key

PMCJWQJCEHBUEP-UHFFFAOYSA-N

Formula

C12H16O4

SMILES

CCCCOC(=O)Oc1ccc(OC)cc1

Molecular Weight¹

224.25

• 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

Property	Value	Unit	Source
ω	0.7462		Relay (1.0) Calculated Property
ΔfH°gas	-647.12	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.23	kJ/mol	Joback Calculated Property
ΔvapH°	81.87	kJ/mol	Relay (1.0) Calculated Property
IE	8.07	eV	Relay (1.0) Calculated Property
log10WS	-3.76		Relay (1.0) Calculated Property
logPoct/wat	3.011		Crippen Calculated Property
McVol	175.360	ml/mol	McGowan Calculated Property
Pc	2304.74	kPa	Joback Calculated Property
Inp	[1716.00; 1716.00]
Inp	1716.00		NIST
Inp	1716.00		NIST
Tboil	567.92	K	Relay (1.0) Calculated Property
Tc	746.00	K	Relay (1.0) Calculated Property
Tfus	268.72	K	Relay (1.0) Calculated Property
Vc	0.661	m3/kmol	Relay (1.0) Calculated Property

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	[252.49; 561.96]	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			4.87830e+01
Coefficient B			8.24240e-01
Coefficient C			-2.76560e-04
Coefficient D			-3.45000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	252.49	J/mol×K	273.00	Calculated Property
Cp,gas	304.24	J/mol×K	353.78	Calculated Property
Cp,gas	351.90	J/mol×K	434.56	Calculated Property
Cp,gas	395.37	J/mol×K	515.33	Calculated Property
Cp,gas	434.54	J/mol×K	596.11	Calculated Property
Cp,gas	469.29	J/mol×K	676.89	Calculated Property
Cp,gas	499.51	J/mol×K	757.67	Calculated Property
Cp,gas	525.11	J/mol×K	838.44	Calculated Property
Cp,gas	545.96	J/mol×K	919.22	Calculated Property
Cp,gas	561.96	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012521; 0.0001340]	Pa×s	[350.73; 566.75]	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			-1.25462e+01
Coefficient B			2.05642e+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.			350.73
Temperature range, max.			566.75
η	0.0012521	Pa×s	350.73	Calculated Property
η	0.0008601	Pa×s	374.73	Calculated Property
η	0.0006181	Pa×s	398.73	Calculated Property
η	0.0004612	Pa×s	422.74	Calculated Property
η	0.0003551	Pa×s	446.74	Calculated Property
η	0.0002808	Pa×s	470.74	Calculated Property
η	0.0002272	Pa×s	494.74	Calculated Property
η	0.0001875	Pa×s	518.75	Calculated Property
η	0.0001573	Pa×s	542.75	Calculated Property
η	0.0001340	Pa×s	566.75	Calculated Property

Similar Compounds

Find more compounds similar to Carbonic acid, butyl 4-methoxyphenyl ester.

Sources

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

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