Chemical Properties of Diethylmalonic acid, monochloride, 2-ethylphenyl ester

InChI

InChI=1S/C15H19ClO3/c1-4-11-9-7-8-10-12(11)19-14(18)15(5-2,6-3)13(16)17/h7-10H,4-6H2,1-3H3

InChI Key

AMQJCHGSKLQUQV-UHFFFAOYSA-N

Formula

C15H19ClO3

SMILES

CCc1ccccc1OC(=O)C(CC)(CC)C(=O)Cl

Molecular Weight¹

282.77

• 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).
• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	31.01	kJ/mol	Joback Calculated Property
logPoct/wat	3.726		Crippen Calculated Property
McVol	219.700	ml/mol	McGowan Calculated Property
Inp	[1791.00; 1791.00]
Inp	1791.00		NIST
Inp	1791.00		NIST
Tboil	571.13	K	Relay (1.0) Calculated Property
Tfus	306.37	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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, Log10 of Water solubility in mol/l 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	[298.19; 678.49]	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			-9.16700e+00
Coefficient B			1.34026e+00
Coefficient C			-8.35260e-04
Coefficient D			1.82660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	298.19	J/mol×K	273.00	Calculated Property
Cp,gas	368.54	J/mol×K	353.78	Calculated Property
Cp,gas	430.51	J/mol×K	434.56	Calculated Property
Cp,gas	484.69	J/mol×K	515.33	Calculated Property
Cp,gas	531.66	J/mol×K	596.11	Calculated Property
Cp,gas	571.99	J/mol×K	676.89	Calculated Property
Cp,gas	606.26	J/mol×K	757.67	Calculated Property
Cp,gas	635.05	J/mol×K	838.44	Calculated Property
Cp,gas	658.94	J/mol×K	919.22	Calculated Property
Cp,gas	678.49	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013595; 0.0001333]	Pa×s	[422.35; 656.14]	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			-1.31184e+01
Coefficient B			2.75277e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			422.35
Temperature range, max.			656.14
η	0.0013595	Pa×s	422.35	Calculated Property
η	0.0009319	Pa×s	448.33	Calculated Property
η	0.0006658	Pa×s	474.30	Calculated Property
η	0.0004926	Pa×s	500.28	Calculated Property
η	0.0003754	Pa×s	526.26	Calculated Property
η	0.0002935	Pa×s	552.23	Calculated Property
η	0.0002346	Pa×s	578.21	Calculated Property
η	0.0001912	Pa×s	604.18	Calculated Property
η	0.0001585	Pa×s	630.16	Calculated Property
η	0.0001333	Pa×s	656.14	Calculated Property

Similar Compounds

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