Chemical Properties of n-Butyl 3,4-dimethoxybenzoate

InChI

InChI=1S/C13H18O4/c1-4-5-8-17-13(14)10-6-7-11(15-2)12(9-10)16-3/h6-7,9H,4-5,8H2,1-3H3

InChI Key

ABBWKQQUUQIENF-UHFFFAOYSA-N

Formula

C13H18O4

SMILES

CCCCOC(=O)c1ccc(OC)c(OC)c1

Molecular Weight¹

238.28

Other Names

• Benzoi acid, 3,4-dimethoxy, n-butyl ester

• 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).
• 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, Ionization energy 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	[276.25; 610.51]	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			6.21730e+01
Coefficient B			8.59760e-01
Coefficient C			-2.63920e-04
Coefficient D			-4.75000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	276.25	J/mol×K	273.00	Calculated Property
Cp,gas	331.20	J/mol×K	353.78	Calculated Property
Cp,gas	382.05	J/mol×K	434.56	Calculated Property
Cp,gas	428.65	J/mol×K	515.33	Calculated Property
Cp,gas	470.84	J/mol×K	596.11	Calculated Property
Cp,gas	508.48	J/mol×K	676.89	Calculated Property
Cp,gas	541.42	J/mol×K	757.67	Calculated Property
Cp,gas	569.50	J/mol×K	838.44	Calculated Property
Cp,gas	592.59	J/mol×K	919.22	Calculated Property
Cp,gas	610.51	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009255; 0.0001232]	Pa×s	[374.52; 585.00]	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			-1.25905e+01
Coefficient B			2.09932e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			374.52
Temperature range, max.			585.00
η	0.0009255	Pa×s	374.52	Calculated Property
η	0.0006657	Pa×s	397.91	Calculated Property
η	0.0004967	Pa×s	421.29	Calculated Property
η	0.0003822	Pa×s	444.68	Calculated Property
η	0.0003019	Pa×s	468.07	Calculated Property
η	0.0002439	Pa×s	491.45	Calculated Property
η	0.0002009	Pa×s	514.84	Calculated Property
η	0.0001682	Pa×s	538.23	Calculated Property
η	0.0001430	Pa×s	561.61	Calculated Property
η	0.0001232	Pa×s	585.00	Calculated Property

Similar Compounds

Find more compounds similar to n-Butyl 3,4-dimethoxybenzoate.

Sources

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

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