Chemical Properties of Dimethylmalonic acid, octyl 3-phenylpropyl ester

InChI

InChI=1S/C22H34O4/c1-4-5-6-7-8-12-17-25-20(23)22(2,3)21(24)26-18-13-16-19-14-10-9-11-15-19/h9-11,14-15H,4-8,12-13,16-18H2,1-3H3

InChI Key

SORGGFCODMJBMX-UHFFFAOYSA-N

Formula

C22H34O4

SMILES

CCCCCCCCOC(=O)C(C)(C)C(=O)OCCCc1ccccc1

Molecular Weight¹

362.51

• 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	[446.14; 1053.49]	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			-2.46700e+01
Coefficient B			2.03116e+00
Coefficient C			-1.18680e-03
Coefficient D			2.33800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	446.14	J/mol×K	273.00	Calculated Property
Cp,gas	555.72	J/mol×K	353.78	Calculated Property
Cp,gas	653.05	J/mol×K	434.56	Calculated Property
Cp,gas	738.87	J/mol×K	515.33	Calculated Property
Cp,gas	813.92	J/mol×K	596.11	Calculated Property
Cp,gas	878.94	J/mol×K	676.89	Calculated Property
Cp,gas	934.67	J/mol×K	757.67	Calculated Property
Cp,gas	981.84	J/mol×K	838.44	Calculated Property
Cp,gas	1021.20	J/mol×K	919.22	Calculated Property
Cp,gas	1053.49	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008544; 0.0000466]	Pa×s	[451.20; 730.05]	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			-1.46789e+01
Coefficient B			3.43536e+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.			451.20
Temperature range, max.			730.05
η	0.0008544	Pa×s	451.20	Calculated Property
η	0.0005238	Pa×s	482.18	Calculated Property
η	0.0003407	Pa×s	513.17	Calculated Property
η	0.0002327	Pa×s	544.15	Calculated Property
η	0.0001656	Pa×s	575.13	Calculated Property
η	0.0001220	Pa×s	606.12	Calculated Property
η	0.0000926	Pa×s	637.10	Calculated Property
η	0.0000721	Pa×s	668.08	Calculated Property
η	0.0000574	Pa×s	699.07	Calculated Property
η	0.0000466	Pa×s	730.05	Calculated Property

Similar Compounds

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

Sources

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

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