Chemical Properties of Glutaric acid, 2-ethylhexyl 3-ethylphenyl ester

InChI

InChI=1S/C21H32O4/c1-4-7-10-18(6-3)16-24-20(22)13-9-14-21(23)25-19-12-8-11-17(5-2)15-19/h8,11-12,15,18H,4-7,9-10,13-14,16H2,1-3H3

InChI Key

LJQODBBUQDUMGI-UHFFFAOYSA-N

Formula

C21H32O4

SMILES

CCCCC(CC)COC(=O)CCCC(=O)Oc1cccc(CC)c1

Molecular Weight¹

348.48

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	49.01	kJ/mol	Joback Calculated Property
log10WS	-5.48		Relay (1.0) Calculated Property
logPoct/wat	5.084		Crippen Calculated Property
McVol	297.870	ml/mol	McGowan Calculated Property
Pc	1189.06	kPa	Joback Calculated Property
Inp	[2452.00; 2452.00]
Inp	2452.00		NIST
Inp	2452.00		NIST
Tboil	643.13	K	Relay (1.0) Calculated Property
Tfus	238.90	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[428.63; 997.93]	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			1.33290e+01
Coefficient B			1.75676e+00
Coefficient C			-8.96760e-04
Coefficient D			1.24600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	428.63	J/mol×K	273.00	Calculated Property
Cp,gas	528.11	J/mol×K	353.78	Calculated Property
Cp,gas	617.62	J/mol×K	434.56	Calculated Property
Cp,gas	697.55	J/mol×K	515.33	Calculated Property
Cp,gas	768.28	J/mol×K	596.11	Calculated Property
Cp,gas	830.23	J/mol×K	676.89	Calculated Property
Cp,gas	883.77	J/mol×K	757.67	Calculated Property
Cp,gas	929.30	J/mol×K	838.44	Calculated Property
Cp,gas	967.23	J/mol×K	919.22	Calculated Property
Cp,gas	997.93	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009791; 0.0000599]	Pa×s	[435.03; 717.48]	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			-1.40254e+01
Coefficient B			3.08722e+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.			435.03
Temperature range, max.			717.48
η	0.0009791	Pa×s	435.03	Calculated Property
η	0.0006074	Pa×s	466.41	Calculated Property
η	0.0004002	Pa×s	497.80	Calculated Property
η	0.0002770	Pa×s	529.18	Calculated Property
η	0.0001998	Pa×s	560.56	Calculated Property
η	0.0001492	Pa×s	591.95	Calculated Property
η	0.0001148	Pa×s	623.33	Calculated Property
η	0.0000905	Pa×s	654.72	Calculated Property
η	0.0000729	Pa×s	686.10	Calculated Property
η	0.0000599	Pa×s	717.48	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-ethylhexyl 3-ethylphenyl 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.