Chemical Properties of Ethylphenylmalonic acid diethyl ester (CAS 76-67-5)

InChI

InChI=1S/C15H20O4/c1-4-15(13(16)18-5-2,14(17)19-6-3)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3

InChI Key

PKRVDBARWFJWEB-UHFFFAOYSA-N

Formula

C15H20O4

SMILES

CCOC(=O)C(CC)(C(=O)OCC)c1ccccc1

Molecular Weight¹

264.32

CAS

76-67-5

Other Names

• Diethyl ethylphenylmalonate
• Propanedioic acid, ethylphenyl-, diethyl ester
• Malonic acid, ethylphenyl-, diethyl ester

• 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).
• 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
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
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 Ethylphenylmalonic acid diethyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.