Chemical Properties of Dimethylmalonic acid, ethyl 3-phenylpropyl ester

InChI

InChI=1S/C16H22O4/c1-4-19-14(17)16(2,3)15(18)20-12-8-11-13-9-6-5-7-10-13/h5-7,9-10H,4,8,11-12H2,1-3H3

InChI Key

UVZGDZMWSQFVEJ-UHFFFAOYSA-N

Formula

C16H22O4

SMILES

CCOC(=O)C(C)(C)C(=O)OCCCc1ccccc1

Molecular Weight¹

278.35

• 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	[318.86; 743.94]	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			-1.92160e+01
Coefficient B			1.46116e+00
Coefficient C			-8.60400e-04
Coefficient D			1.62400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	318.86	J/mol×K	273.00	Calculated Property
Cp,gas	397.21	J/mol×K	353.78	Calculated Property
Cp,gas	466.59	J/mol×K	434.56	Calculated Property
Cp,gas	527.50	J/mol×K	515.33	Calculated Property
Cp,gas	580.46	J/mol×K	596.11	Calculated Property
Cp,gas	625.98	J/mol×K	676.89	Calculated Property
Cp,gas	664.57	J/mol×K	757.67	Calculated Property
Cp,gas	696.76	J/mol×K	838.44	Calculated Property
Cp,gas	723.04	J/mol×K	919.22	Calculated Property
Cp,gas	743.94	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018999; 0.0000961]	Pa×s	[383.58; 637.94]	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			-1.37491e+01
Coefficient B			2.87040e+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.			383.58
Temperature range, max.			637.94
η	0.0018999	Pa×s	383.58	Calculated Property
η	0.0011369	Pa×s	411.84	Calculated Property
η	0.0007267	Pa×s	440.11	Calculated Property
η	0.0004902	Pa×s	468.37	Calculated Property
η	0.0003459	Pa×s	496.63	Calculated Property
η	0.0002534	Pa×s	524.89	Calculated Property
η	0.0001916	Pa×s	553.16	Calculated Property
η	0.0001489	Pa×s	581.42	Calculated Property
η	0.0001184	Pa×s	609.68	Calculated Property
η	0.0000961	Pa×s	637.94	Calculated Property

Similar Compounds

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

Sources

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

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