Chemical Properties of Dimethylmalonic acid, isohexyl pentadecyl ester

InChI

InChI=1S/C26H50O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21-29-24(27)26(4,5)25(28)30-22-19-20-23(2)3/h23H,6-22H2,1-5H3

InChI Key

APMMMWQNXJXIGW-UHFFFAOYSA-N

Formula

C26H50O4

SMILES

CCCCCCCCCCCCCCCOC(=O)C(C)(C)C(=O)OCCCC(C)C

Molecular Weight¹

426.68

• 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	[587.94; 1378.92]	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			3.91700e+00
Coefficient B			2.49600e+00
Coefficient C			-1.37640e-03
Coefficient D			2.55400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	587.94	J/mol×K	273.00	Calculated Property
Cp,gas	725.99	J/mol×K	353.78	Calculated Property
Cp,gas	849.61	J/mol×K	434.56	Calculated Property
Cp,gas	959.61	J/mol×K	515.33	Calculated Property
Cp,gas	1056.81	J/mol×K	596.11	Calculated Property
Cp,gas	1142.00	J/mol×K	676.89	Calculated Property
Cp,gas	1216.00	J/mol×K	757.67	Calculated Property
Cp,gas	1279.62	J/mol×K	838.44	Calculated Property
Cp,gas	1333.65	J/mol×K	919.22	Calculated Property
Cp,gas	1378.92	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007680; 0.0000235]	Pa×s	[454.86; 778.29]	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			-1.55620e+01
Coefficient B			3.81640e+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.			454.86
Temperature range, max.			778.29
η	0.0007680	Pa×s	454.86	Calculated Property
η	0.0004155	Pa×s	490.80	Calculated Property
η	0.0002444	Pa×s	526.73	Calculated Property
η	0.0001539	Pa×s	562.67	Calculated Property
η	0.0001024	Pa×s	598.61	Calculated Property
η	0.0000714	Pa×s	634.54	Calculated Property
η	0.0000517	Pa×s	670.48	Calculated Property
η	0.0000387	Pa×s	706.42	Calculated Property
η	0.0000298	Pa×s	742.35	Calculated Property
η	0.0000235	Pa×s	778.29	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, isohexyl pentadecyl ester.

Sources

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

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