Chemical Properties of Adipic acid, ethyl 3-phenoxybenzyl ester

InChI

InChI=1S/C21H24O5/c1-2-24-20(22)13-6-7-14-21(23)25-16-17-9-8-12-19(15-17)26-18-10-4-3-5-11-18/h3-5,8-12,15H,2,6-7,13-14,16H2,1H3

InChI Key

WHQWPJWYJCCKHC-UHFFFAOYSA-N

Formula

C21H24O5

SMILES

CCOC(=O)CCCCC(=O)OCc1cccc(Oc2ccccc2)c1

Molecular Weight¹

356.41

• 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, Acentric Factor 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	[387.09; 897.37]	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			6.60600e+00
Coefficient B			1.60872e+00
Coefficient C			-8.13760e-04
Coefficient D			9.58000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	387.09	J/mol×K	273.00	Calculated Property
Cp,gas	478.13	J/mol×K	353.78	Calculated Property
Cp,gas	559.88	J/mol×K	434.56	Calculated Property
Cp,gas	632.63	J/mol×K	515.33	Calculated Property
Cp,gas	696.71	J/mol×K	596.11	Calculated Property
Cp,gas	752.39	J/mol×K	676.89	Calculated Property
Cp,gas	800.00	J/mol×K	757.67	Calculated Property
Cp,gas	839.83	J/mol×K	838.44	Calculated Property
Cp,gas	872.18	J/mol×K	919.22	Calculated Property
Cp,gas	897.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004474; 0.0000473]	Pa×s	[498.68; 766.56]	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			-1.41389e+01
Coefficient B			3.20491e+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.			498.68
Temperature range, max.			766.56
η	0.0004474	Pa×s	498.68	Calculated Property
η	0.0003115	Pa×s	528.44	Calculated Property
η	0.0002254	Pa×s	558.21	Calculated Property
η	0.0001686	Pa×s	587.97	Calculated Property
η	0.0001296	Pa×s	617.74	Calculated Property
η	0.0001021	Pa×s	647.50	Calculated Property
η	0.0000822	Pa×s	677.27	Calculated Property
η	0.0000673	Pa×s	707.03	Calculated Property
η	0.0000561	Pa×s	736.80	Calculated Property
η	0.0000473	Pa×s	766.56	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, ethyl 3-phenoxybenzyl 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.