Chemical Properties of 2-Ethylbutyric acid, 2,6-dimethoxyphenyl ester

InChI

InChI=1S/C14H20O4/c1-5-10(6-2)14(15)18-13-11(16-3)8-7-9-12(13)17-4/h7-10H,5-6H2,1-4H3

InChI Key

WCHUYKAUFKZTLE-UHFFFAOYSA-N

Formula

C14H20O4

SMILES

CCC(CC)C(=O)Oc1c(OC)cccc1OC

Molecular Weight¹

252.31

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	28.50	kJ/mol	Joback Calculated Property
IE	8.00	eV	Relay (1.0) Calculated Property
log10WS	-3.19		Relay (1.0) Calculated Property
logPoct/wat	3.045		Crippen Calculated Property
McVol	203.540	ml/mol	McGowan Calculated Property
Inp	[1779.00; 1779.00]
Inp	1779.00		NIST
Inp	1779.00		NIST
Tboil	569.96	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[297.15; 662.64]	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			5.95820e+01
Coefficient B			9.60680e-01
Coefficient C			-3.21520e-04
Coefficient D			-3.61000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	297.15	J/mol×K	273.00	Calculated Property
Cp,gas	357.61	J/mol×K	353.78	Calculated Property
Cp,gas	413.37	J/mol×K	434.56	Calculated Property
Cp,gas	464.33	J/mol×K	515.33	Calculated Property
Cp,gas	510.36	J/mol×K	596.11	Calculated Property
Cp,gas	551.35	J/mol×K	676.89	Calculated Property
Cp,gas	587.18	J/mol×K	757.67	Calculated Property
Cp,gas	617.76	J/mol×K	838.44	Calculated Property
Cp,gas	642.95	J/mol×K	919.22	Calculated Property
Cp,gas	662.64	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010609; 0.0001055]	Pa×s	[370.79; 601.43]	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			-1.28663e+01
Coefficient B			2.23130e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			370.79
Temperature range, max.			601.43
η	0.0010609	Pa×s	370.79	Calculated Property
η	0.0007190	Pa×s	396.42	Calculated Property
η	0.0005108	Pa×s	422.04	Calculated Property
η	0.0003774	Pa×s	447.67	Calculated Property
η	0.0002882	Pa×s	473.30	Calculated Property
η	0.0002262	Pa×s	498.93	Calculated Property
η	0.0001818	Pa×s	524.55	Calculated Property
η	0.0001491	Pa×s	550.18	Calculated Property
η	0.0001245	Pa×s	575.81	Calculated Property
η	0.0001055	Pa×s	601.43	Calculated Property

Similar Compounds

Find more compounds similar to 2-Ethylbutyric acid, 2,6-dimethoxyphenyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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