Chemical Properties of Diethylmalonic acid, 2-ethylphenyl isobutyl ester

InChI

InChI=1S/C19H28O4/c1-6-15-11-9-10-12-16(15)23-18(21)19(7-2,8-3)17(20)22-13-14(4)5/h9-12,14H,6-8,13H2,1-5H3

InChI Key

SNLBEGHOIVNXKC-UHFFFAOYSA-N

Formula

C19H28O4

SMILES

CCc1ccccc1OC(=O)C(CC)(CC)C(=O)OCC(C)C

Molecular Weight¹

320.42

• 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).
• 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°	36.42	kJ/mol	Joback Calculated Property
log10WS	-4.44		Relay (1.0) Calculated Property
logPoct/wat	4.160		Crippen Calculated Property
McVol	269.690	ml/mol	McGowan Calculated Property
Inp	[1982.00; 1982.00]
Inp	1982.00		NIST
Inp	1982.00		NIST
Tboil	601.41	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, 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	[384.74; 896.21]	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			-9.32600e+00
Coefficient B			1.69260e+00
Coefficient C			-9.59760e-04
Coefficient D			1.72700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	384.74	J/mol×K	273.00	Calculated Property
Cp,gas	477.00	J/mol×K	353.78	Calculated Property
Cp,gas	559.13	J/mol×K	434.56	Calculated Property
Cp,gas	631.68	J/mol×K	515.33	Calculated Property
Cp,gas	695.18	J/mol×K	596.11	Calculated Property
Cp,gas	750.20	J/mol×K	676.89	Calculated Property
Cp,gas	797.26	J/mol×K	757.67	Calculated Property
Cp,gas	836.92	J/mol×K	838.44	Calculated Property
Cp,gas	869.72	J/mol×K	919.22	Calculated Property
Cp,gas	896.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012573; 0.0000625]	Pa×s	[414.91; 687.80]	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			-1.42453e+01
Coefficient B			3.13944e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			414.91
Temperature range, max.			687.80
η	0.0012573	Pa×s	414.91	Calculated Property
η	0.0007510	Pa×s	445.23	Calculated Property
η	0.0004791	Pa×s	475.55	Calculated Property
η	0.0003225	Pa×s	505.87	Calculated Property
η	0.0002271	Pa×s	536.19	Calculated Property
η	0.0001660	Pa×s	566.52	Calculated Property
η	0.0001252	Pa×s	596.84	Calculated Property
η	0.0000971	Pa×s	627.16	Calculated Property
η	0.0000771	Pa×s	657.48	Calculated Property
η	0.0000625	Pa×s	687.80	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-ethylphenyl isobutyl 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

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