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

InChI

InChI=1S/C13H23ClO3/c1-5-7-8-10(6-2)9-17-12(16)13(3,4)11(14)15/h10H,5-9H2,1-4H3

InChI Key

UGTHEYKCJVBEMX-UHFFFAOYSA-N

Formula

C13H23ClO3

SMILES

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

Molecular Weight¹

262.77

• 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).
• 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°	28.65	kJ/mol	Joback Calculated Property
log10WS	-4.42		Relay (1.0) Calculated Property
logPoct/wat	3.538		Crippen Calculated Property
McVol	215.280	ml/mol	McGowan Calculated Property
Pc	1724.59	kPa	Joback Calculated Property
Inp	[1519.00; 1519.00]
Inp	1519.00		NIST
Inp	1519.00		NIST
Tboil	523.19	K	Relay (1.0) Calculated Property
Tfus	216.80	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	[310.15; 697.42]	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			1.05750e+01
Coefficient B			1.29458e+00
Coefficient C			-7.65500e-04
Coefficient D			1.57760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	310.15	J/mol×K	273.00	Calculated Property
Cp,gas	379.74	J/mol×K	353.78	Calculated Property
Cp,gas	441.53	J/mol×K	434.56	Calculated Property
Cp,gas	496.01	J/mol×K	515.33	Calculated Property
Cp,gas	543.69	J/mol×K	596.11	Calculated Property
Cp,gas	585.05	J/mol×K	676.89	Calculated Property
Cp,gas	620.61	J/mol×K	757.67	Calculated Property
Cp,gas	650.86	J/mol×K	838.44	Calculated Property
Cp,gas	676.29	J/mol×K	919.22	Calculated Property
Cp,gas	697.42	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0038400; 0.0001763]	Pa×s	[345.87; 583.00]	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			-1.31377e+01
Coefficient B			2.62011e+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.			345.87
Temperature range, max.			583.00
η	0.0038400	Pa×s	345.87	Calculated Property
η	0.0022462	Pa×s	372.22	Calculated Property
η	0.0014104	Pa×s	398.57	Calculated Property
η	0.0009383	Pa×s	424.91	Calculated Property
η	0.0006546	Pa×s	451.26	Calculated Property
η	0.0004752	Pa×s	477.61	Calculated Property
η	0.0003567	Pa×s	503.96	Calculated Property
η	0.0002755	Pa×s	530.31	Calculated Property
η	0.0002180	Pa×s	556.66	Calculated Property
η	0.0001763	Pa×s	583.00	Calculated Property

Similar Compounds

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

Sources

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

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