Chemical Properties of Dimethylmalonic acid, hexyl 3-phenylpropyl ester

InChI

InChI=1S/C20H30O4/c1-4-5-6-10-15-23-18(21)20(2,3)19(22)24-16-11-14-17-12-8-7-9-13-17/h7-9,12-13H,4-6,10-11,14-16H2,1-3H3

InChI Key

NPUJLTJPJKJBLP-UHFFFAOYSA-N

Formula

C20H30O4

SMILES

CCCCCCOC(=O)C(C)(C)C(=O)OCCCc1ccccc1

Molecular Weight¹

334.45

• 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	[403.72; 950.31]	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			-2.28520e+01
Coefficient B			1.84116e+00
Coefficient C			-1.07800e-03
Coefficient D			2.10000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	403.72	J/mol×K	273.00	Calculated Property
Cp,gas	502.89	J/mol×K	353.78	Calculated Property
Cp,gas	590.90	J/mol×K	434.56	Calculated Property
Cp,gas	668.42	J/mol×K	515.33	Calculated Property
Cp,gas	736.10	J/mol×K	596.11	Calculated Property
Cp,gas	794.62	J/mol×K	676.89	Calculated Property
Cp,gas	844.64	J/mol×K	757.67	Calculated Property
Cp,gas	886.81	J/mol×K	838.44	Calculated Property
Cp,gas	921.82	J/mol×K	919.22	Calculated Property
Cp,gas	950.31	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011288; 0.0000608]	Pa×s	[428.66; 697.72]	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			-1.43615e+01
Coefficient B			3.24704e+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.			428.66
Temperature range, max.			697.72
η	0.0011288	Pa×s	428.66	Calculated Property
η	0.0006889	Pa×s	458.56	Calculated Property
η	0.0004466	Pa×s	488.45	Calculated Property
η	0.0003044	Pa×s	518.35	Calculated Property
η	0.0002163	Pa×s	548.24	Calculated Property
η	0.0001592	Pa×s	578.14	Calculated Property
η	0.0001208	Pa×s	608.03	Calculated Property
η	0.0000941	Pa×s	637.93	Calculated Property
η	0.0000749	Pa×s	667.82	Calculated Property
η	0.0000608	Pa×s	697.72	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, hexyl 3-phenylpropyl ester.

Sources

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

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