Chemical Properties of Glutaric acid, 2-ethylhexyl 2-chloro-5-methylphenyl ester

InChI

InChI=1S/C20H29ClO4/c1-4-6-8-16(5-2)14-24-19(22)9-7-10-20(23)25-18-13-15(3)11-12-17(18)21/h11-13,16H,4-10,14H2,1-3H3

InChI Key

KZGQWIDFWVXMNS-UHFFFAOYSA-N

Formula

C20H29ClO4

SMILES

CCCCC(CC)COC(=O)CCCC(=O)Oc1cc(C)ccc1Cl

Molecular Weight¹

368.90

• 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°	50.23	kJ/mol	Joback Calculated Property
log10WS	-5.71		Relay (1.0) Calculated Property
logPoct/wat	5.484		Crippen Calculated Property
McVol	296.020	ml/mol	McGowan Calculated Property
Pc	1225.98	kPa	Joback Calculated Property
Inp	[2556.00; 2556.00]
Inp	2556.00		NIST
Inp	2556.00		NIST
Tboil	643.70	K	Relay (1.0) Calculated Property
Tfus	274.66	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	[423.37; 951.57]	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			4.14280e+01
Coefficient B			1.60906e+00
Coefficient C			-7.95720e-04
Coefficient D			9.68000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	423.37	J/mol×K	273.00	Calculated Property
Cp,gas	515.37	J/mol×K	353.78	Calculated Property
Cp,gas	598.33	J/mol×K	434.56	Calculated Property
Cp,gas	672.56	J/mol×K	515.33	Calculated Property
Cp,gas	738.35	J/mol×K	596.11	Calculated Property
Cp,gas	796.02	J/mol×K	676.89	Calculated Property
Cp,gas	845.87	J/mol×K	757.67	Calculated Property
Cp,gas	888.21	J/mol×K	838.44	Calculated Property
Cp,gas	923.34	J/mol×K	919.22	Calculated Property
Cp,gas	951.57	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006811; 0.0000593]	Pa×s	[466.20; 734.82]	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			-1.39695e+01
Coefficient B			3.11312e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			466.20
Temperature range, max.			734.82
η	0.0006811	Pa×s	466.20	Calculated Property
η	0.0004557	Pa×s	496.05	Calculated Property
η	0.0003192	Pa×s	525.89	Calculated Property
η	0.0002322	Pa×s	555.74	Calculated Property
η	0.0001746	Pa×s	585.59	Calculated Property
η	0.0001349	Pa×s	615.43	Calculated Property
η	0.0001068	Pa×s	645.28	Calculated Property
η	0.0000862	Pa×s	675.13	Calculated Property
η	0.0000710	Pa×s	704.97	Calculated Property
η	0.0000593	Pa×s	734.82	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-ethylhexyl 2-chloro-5-methylphenyl ester.

Sources

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

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