Chemical Properties of Propanedioic acid, propyl-, dimethyl ester

InChI

InChI=1S/C8H14O4/c1-4-5-6(7(9)11-2)8(10)12-3/h6H,4-5H2,1-3H3

InChI Key

GQTSAGKZHIWKMR-UHFFFAOYSA-N

Formula

C8H14O4

SMILES

CCCC(C(=O)OC)C(=O)OC

Molecular Weight¹

174.20

Other Names

• Malonic acid, propyl-, dimethyl ester
• Propanedioic acid, 2-propyl-, 1,3-dimethyl ester
• dimethyl propylmalonate

• 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).
• IE : Ionization energy (eV).
• 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).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[207.55; 448.81]	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			4.47520e+01
Coefficient B			6.60160e-01
Coefficient C			-2.25400e-04
Coefficient D			-3.07000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	207.55	J/mol×K	273.00	Calculated Property
Cp,gas	248.73	J/mol×K	353.78	Calculated Property
Cp,gas	286.54	J/mol×K	434.56	Calculated Property
Cp,gas	320.89	J/mol×K	515.33	Calculated Property
Cp,gas	351.68	J/mol×K	596.11	Calculated Property
Cp,gas	378.81	J/mol×K	676.89	Calculated Property
Cp,gas	402.19	J/mol×K	757.67	Calculated Property
Cp,gas	421.71	J/mol×K	838.44	Calculated Property
Cp,gas	437.28	J/mol×K	919.22	Calculated Property
Cp,gas	448.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0081868; 0.0002265]	Pa×s	[249.58; 476.31]	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			-1.23418e+01
Coefficient B			1.88098e+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.			249.58
Temperature range, max.			476.31
η	0.0081868	Pa×s	249.58	Calculated Property
η	0.0041023	Pa×s	274.77	Calculated Property
η	0.0023086	Pa×s	299.96	Calculated Property
η	0.0014202	Pa×s	325.16	Calculated Property
η	0.0009369	Pa×s	350.35	Calculated Property
η	0.0006536	Pa×s	375.54	Calculated Property
η	0.0004770	Pa×s	400.73	Calculated Property
η	0.0003614	Pa×s	425.92	Calculated Property
η	0.0002824	Pa×s	451.11	Calculated Property
η	0.0002265	Pa×s	476.31	Calculated Property

Similar Compounds

Find more compounds similar to Propanedioic acid, propyl-, dimethyl ester.

Sources

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

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