Chemical Properties of Dimethylmalonic acid, ethyl 2-ethylhexyl ester

InChI

InChI=1S/C15H28O4/c1-6-9-10-12(7-2)11-19-14(17)15(4,5)13(16)18-8-3/h12H,6-11H2,1-5H3

InChI Key

UAVPSEKGESQSEI-UHFFFAOYSA-N

Formula

C15H28O4

SMILES

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

Molecular Weight¹

272.38

• 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

Property	Value	Unit	Source
ω	0.7009		Relay (1.0) Calculated Property
ΔfH°gas	-986.04	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.41	kJ/mol	Joback Calculated Property
ΔvapH°	74.98	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.79		Relay (1.0) Calculated Property
logPoct/wat	3.335		Crippen Calculated Property
McVol	237.090	ml/mol	McGowan Calculated Property
Pc	1455.68	kPa	Joback Calculated Property
Inp	[1591.00; 1591.00]
Inp	1591.00		NIST
Inp	1591.00		NIST
Tboil	536.59	K	Relay (1.0) Calculated Property
Tc	726.39	K	Relay (1.0) Calculated Property
Tfus	209.30	K	Relay (1.0) Calculated Property
Vc	0.886	m3/kmol	Relay (1.0) Calculated Property

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[665.86; 755.74]	J/mol×K	[655.57; 835.49]
Cp,gas	665.86	J/mol×K	655.57	Joback Calculated Property
Cp,gas	683.12	J/mol×K	685.56	Joback Calculated Property
Cp,gas	699.44	J/mol×K	715.54	Joback Calculated Property
Cp,gas	714.84	J/mol×K	745.53	Joback Calculated Property
Cp,gas	729.35	J/mol×K	775.51	Joback Calculated Property
Cp,gas	742.97	J/mol×K	805.50	Joback Calculated Property
Cp,gas	755.74	J/mol×K	835.49	Joback Calculated Property
η	[0.0000691; 0.0044348]	Pa×s	[330.89; 655.57]
η	0.0044348	Pa×s	330.89	Joback Calculated Property
η	0.0013612	Pa×s	385.00	Joback Calculated Property
η	0.0005590	Pa×s	439.12	Joback Calculated Property
η	0.0002790	Pa×s	493.23	Joback Calculated Property
η	0.0001598	Pa×s	547.34	Joback Calculated Property
η	0.0001012	Pa×s	601.46	Joback Calculated Property
η	0.0000691	Pa×s	655.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, ethyl 2-ethylhexyl ester.

Sources

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

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