Chemical Properties of Dimethylmalonic acid, ethyl 2-phenethyl ester

InChI

InChI=1S/C15H20O4/c1-4-18-13(16)15(2,3)14(17)19-11-10-12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3

InChI Key

FEOPIDQCBSIXGZ-UHFFFAOYSA-N

Formula

C15H20O4

SMILES

CCOC(=O)C(C)(C)C(=O)OCCc1ccccc1

Molecular Weight¹

264.32

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[297.65; 692.35]	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			-1.83070e+01
Coefficient B			1.36616e+00
Coefficient C			-8.06000e-04
Coefficient D			1.50500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	297.65	J/mol×K	273.00	Calculated Property
Cp,gas	370.80	J/mol×K	353.78	Calculated Property
Cp,gas	435.51	J/mol×K	434.56	Calculated Property
Cp,gas	492.27	J/mol×K	515.33	Calculated Property
Cp,gas	541.55	J/mol×K	596.11	Calculated Property
Cp,gas	583.82	J/mol×K	676.89	Calculated Property
Cp,gas	619.55	J/mol×K	757.67	Calculated Property
Cp,gas	649.24	J/mol×K	838.44	Calculated Property
Cp,gas	673.35	J/mol×K	919.22	Calculated Property
Cp,gas	692.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021441; 0.0001061]	Pa×s	[372.31; 623.83]	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			-1.36018e+01
Coefficient B			2.77624e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			372.31
Temperature range, max.			623.83
η	0.0021441	Pa×s	372.31	Calculated Property
η	0.0012739	Pa×s	400.26	Calculated Property
η	0.0008101	Pa×s	428.20	Calculated Property
η	0.0005445	Pa×s	456.15	Calculated Property
η	0.0003832	Pa×s	484.10	Calculated Property
η	0.0002802	Pa×s	512.04	Calculated Property
η	0.0002117	Pa×s	539.99	Calculated Property
η	0.0001643	Pa×s	567.94	Calculated Property
η	0.0001307	Pa×s	595.88	Calculated Property
η	0.0001061	Pa×s	623.83	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, ethyl 2-phenethyl ester.

Sources

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

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