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

InChI

InChI=1S/C15H27ClO3/c1-5-9-10-12(6-2)11-19-14(18)15(7-3,8-4)13(16)17/h12H,5-11H2,1-4H3

InChI Key

ZQXZYIIBTYRPKI-UHFFFAOYSA-N

Formula

C15H27ClO3

SMILES

CCCCC(CC)COC(=O)C(CC)(CC)C(=O)Cl

Molecular Weight¹

290.83

• 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).
• P_c : Critical Pressure (kPa).
• 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°	33.83	kJ/mol	Joback Calculated Property
log10WS	-4.72		Relay (1.0) Calculated Property
logPoct/wat	4.318		Crippen Calculated Property
McVol	243.460	ml/mol	McGowan Calculated Property
Pc	1479.29	kPa	Joback Calculated Property
Inp	[1663.00; 1663.00]
Inp	1663.00		NIST
Inp	1663.00		NIST
Tboil	553.32	K	Relay (1.0) Calculated Property
Tfus	246.12	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, 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	[352.58; 800.60]	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			8.75700e+00
Coefficient B			1.48458e+00
Coefficient C			-8.74300e-04
Coefficient D			1.81560e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	352.58	J/mol×K	273.00	Calculated Property
Cp,gas	432.58	J/mol×K	353.78	Calculated Property
Cp,gas	503.69	J/mol×K	434.56	Calculated Property
Cp,gas	566.47	J/mol×K	515.33	Calculated Property
Cp,gas	621.51	J/mol×K	596.11	Calculated Property
Cp,gas	669.38	J/mol×K	676.89	Calculated Property
Cp,gas	710.64	J/mol×K	757.67	Calculated Property
Cp,gas	745.89	J/mol×K	838.44	Calculated Property
Cp,gas	775.68	J/mol×K	919.22	Calculated Property
Cp,gas	800.60	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0029940; 0.0001431]	Pa×s	[368.41; 612.92]	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			-1.34343e+01
Coefficient B			2.80843e+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.			368.41
Temperature range, max.			612.92
η	0.0029940	Pa×s	368.41	Calculated Property
η	0.0017737	Pa×s	395.58	Calculated Property
η	0.0011239	Pa×s	422.74	Calculated Property
η	0.0007525	Pa×s	449.91	Calculated Property
η	0.0005274	Pa×s	477.08	Calculated Property
η	0.0003841	Pa×s	504.25	Calculated Property
η	0.0002889	Pa×s	531.41	Calculated Property
η	0.0002234	Pa×s	558.58	Calculated Property
η	0.0001769	Pa×s	585.75	Calculated Property
η	0.0001431	Pa×s	612.92	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, monochloride, 2-ethylhexyl ester.

Sources

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

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