Chemical Properties of Dimethylmalonic acid, 3-methylbutyl tetradecyl ester

InChI

InChI=1S/C24H46O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-19-27-22(25)24(4,5)23(26)28-20-18-21(2)3/h21H,6-20H2,1-5H3

InChI Key

JSSFKAYRGFLWSV-UHFFFAOYSA-N

Formula

C24H46O4

SMILES

CCCCCCCCCCCCCCOC(=O)C(C)(C)C(=O)OCCC(C)C

Molecular Weight¹

398.62

• 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	[545.51; 1275.73]	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			5.73500e+00
Coefficient B			2.30600e+00
Coefficient C			-1.26760e-03
Coefficient D			2.31600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	545.51	J/mol×K	273.00	Calculated Property
Cp,gas	673.15	J/mol×K	353.78	Calculated Property
Cp,gas	787.45	J/mol×K	434.56	Calculated Property
Cp,gas	889.16	J/mol×K	515.33	Calculated Property
Cp,gas	978.99	J/mol×K	596.11	Calculated Property
Cp,gas	1057.68	J/mol×K	676.89	Calculated Property
Cp,gas	1125.97	J/mol×K	757.67	Calculated Property
Cp,gas	1184.59	J/mol×K	838.44	Calculated Property
Cp,gas	1234.27	J/mol×K	919.22	Calculated Property
Cp,gas	1275.74	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010703; 0.0000330]	Pa×s	[432.32; 738.37]	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			-1.52320e+01
Coefficient B			3.62808e+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.			432.32
Temperature range, max.			738.37
η	0.0010703	Pa×s	432.32	Calculated Property
η	0.0005804	Pa×s	466.33	Calculated Property
η	0.0003420	Pa×s	500.33	Calculated Property
η	0.0002156	Pa×s	534.34	Calculated Property
η	0.0001436	Pa×s	568.34	Calculated Property
η	0.0001002	Pa×s	602.35	Calculated Property
η	0.0000726	Pa×s	636.35	Calculated Property
η	0.0000544	Pa×s	670.36	Calculated Property
η	0.0000419	Pa×s	704.36	Calculated Property
η	0.0000330	Pa×s	738.37	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, 3-methylbutyl tetradecyl ester.

Sources

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

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