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

InChI

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

InChI Key

KXOIFRUPFKMKHJ-UHFFFAOYSA-N

Formula

C21H32O4

SMILES

CCCCC(CC)COC(=O)CCCC(=O)Oc1cccc(C)c1C

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°	48.62	kJ/mol	Joback Calculated Property
log10WS	-5.26		Relay (1.0) Calculated Property
logPoct/wat	5.139		Crippen Calculated Property
McVol	297.870	ml/mol	McGowan Calculated Property
Pc	1176.85	kPa	Joback Calculated Property
Inp	[2505.00; 2505.00]
Inp	2505.00		NIST
Inp	2505.00		NIST
Tboil	645.25	K	Relay (1.0) Calculated Property
Tfus	274.26	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	[431.18; 994.89]	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			2.76280e+01
Coefficient B			1.69728e+00
Coefficient C			-8.29720e-04
Coefficient D			9.97000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	431.18	J/mol×K	273.00	Calculated Property
Cp,gas	528.66	J/mol×K	353.78	Calculated Property
Cp,gas	616.69	J/mol×K	434.56	Calculated Property
Cp,gas	695.59	J/mol×K	515.33	Calculated Property
Cp,gas	765.67	J/mol×K	596.11	Calculated Property
Cp,gas	827.26	J/mol×K	676.89	Calculated Property
Cp,gas	880.66	J/mol×K	757.67	Calculated Property
Cp,gas	926.18	J/mol×K	838.44	Calculated Property
Cp,gas	964.16	J/mol×K	919.22	Calculated Property
Cp,gas	994.89	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007865; 0.0000598]	Pa×s	[447.55; 721.58]	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			-1.39314e+01
Coefficient B			3.03596e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			447.55
Temperature range, max.			721.58
η	0.0007865	Pa×s	447.55	Calculated Property
η	0.0005106	Pa×s	478.00	Calculated Property
η	0.0003490	Pa×s	508.44	Calculated Property
η	0.0002491	Pa×s	538.89	Calculated Property
η	0.0001843	Pa×s	569.34	Calculated Property
η	0.0001406	Pa×s	599.79	Calculated Property
η	0.0001101	Pa×s	630.23	Calculated Property
η	0.0000882	Pa×s	660.68	Calculated Property
η	0.0000720	Pa×s	691.13	Calculated Property
η	0.0000598	Pa×s	721.58	Calculated Property

Similar Compounds

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

Sources

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

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