Chemical Properties of Diethylmalonic acid, nonyl 3-phenylpropyl ester

InChI

InChI=1S/C25H40O4/c1-4-7-8-9-10-11-15-20-28-23(26)25(5-2,6-3)24(27)29-21-16-19-22-17-13-12-14-18-22/h12-14,17-18H,4-11,15-16,19-21H2,1-3H3

InChI Key

YSTQNSIZYJRHPG-UHFFFAOYSA-N

Formula

C25H40O4

SMILES

CCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCCCc1ccccc1

Molecular Weight¹

404.58

• 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	[509.78; 1208.26]	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			-2.73970e+01
Coefficient B			2.31616e+00
Coefficient C			-1.35000e-03
Coefficient D			2.69500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	509.78	J/mol×K	273.00	Calculated Property
Cp,gas	634.98	J/mol×K	353.78	Calculated Property
Cp,gas	746.29	J/mol×K	434.56	Calculated Property
Cp,gas	844.56	J/mol×K	515.33	Calculated Property
Cp,gas	930.66	J/mol×K	596.11	Calculated Property
Cp,gas	1005.43	J/mol×K	676.89	Calculated Property
Cp,gas	1069.72	J/mol×K	757.67	Calculated Property
Cp,gas	1124.39	J/mol×K	838.44	Calculated Property
Cp,gas	1170.28	J/mol×K	919.22	Calculated Property
Cp,gas	1208.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005527; 0.0000300]	Pa×s	[485.01; 782.41]	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			-1.51661e+01
Coefficient B			3.71784e+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.			485.01
Temperature range, max.			782.41
η	0.0005527	Pa×s	485.01	Calculated Property
η	0.0003390	Pa×s	518.05	Calculated Property
η	0.0002204	Pa×s	551.10	Calculated Property
η	0.0001505	Pa×s	584.14	Calculated Property
η	0.0001070	Pa×s	617.19	Calculated Property
η	0.0000788	Pa×s	650.23	Calculated Property
η	0.0000598	Pa×s	683.27	Calculated Property
η	0.0000465	Pa×s	716.32	Calculated Property
η	0.0000370	Pa×s	749.36	Calculated Property
η	0.0000300	Pa×s	782.41	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, nonyl 3-phenylpropyl ester.

Sources

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

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