Chemical Properties of Malonic acid, 2,4-dimethylpent-3-yl ethyl ester

InChI

InChI=1S/C12H22O4/c1-6-15-10(13)7-11(14)16-12(8(2)3)9(4)5/h8-9,12H,6-7H2,1-5H3

InChI Key

ANRPBMPCJBBSHU-UHFFFAOYSA-N

Formula

C12H22O4

SMILES

CCOC(=O)CC(=O)OC(C(C)C)C(C)C

Molecular Weight¹

230.30

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[291.78; 656.25]	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			3.77520e+01
Coefficient B			1.05200e+00
Coefficient C			-4.49400e-04
Coefficient D			1.59000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	291.78	J/mol×K	273.00	Calculated Property
Cp,gas	354.38	J/mol×K	353.78	Calculated Property
Cp,gas	411.35	J/mol×K	434.56	Calculated Property
Cp,gas	462.71	J/mol×K	515.33	Calculated Property
Cp,gas	508.54	J/mol×K	596.11	Calculated Property
Cp,gas	548.86	J/mol×K	676.89	Calculated Property
Cp,gas	583.75	J/mol×K	757.67	Calculated Property
Cp,gas	613.24	J/mol×K	838.44	Calculated Property
Cp,gas	637.39	J/mol×K	919.22	Calculated Property
Cp,gas	656.25	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0134264; 0.0001504]	Pa×s	[264.66; 539.59]	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			-1.31266e+01
Coefficient B			2.33326e+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.			264.66
Temperature range, max.			539.59
η	0.0134264	Pa×s	264.66	Calculated Property
η	0.0053921	Pa×s	295.21	Calculated Property
η	0.0025696	Pa×s	325.76	Calculated Property
η	0.0013905	Pa×s	356.30	Calculated Property
η	0.0008291	Pa×s	386.85	Calculated Property
η	0.0005332	Pa×s	417.40	Calculated Property
η	0.0003642	Pa×s	447.95	Calculated Property
η	0.0002612	Pa×s	478.50	Calculated Property
η	0.0001949	Pa×s	509.05	Calculated Property
η	0.0001504	Pa×s	539.59	Calculated Property

Similar Compounds

Find more compounds similar to Malonic acid, 2,4-dimethylpent-3-yl ethyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.