Chemical Properties of Glutaric acid, 2-ethylhexyl 4-chloro-2-methoxyphenyl ester

InChI

InChI=1S/C20H29ClO5/c1-4-6-8-15(5-2)14-25-19(22)9-7-10-20(23)26-17-12-11-16(21)13-18(17)24-3/h11-13,15H,4-10,14H2,1-3H3

InChI Key

CSAKZXDXTSGMIF-UHFFFAOYSA-N

Formula

C20H29ClO5

SMILES

CCCCC(CC)COC(=O)CCCC(=O)Oc1ccc(Cl)cc1OC

Molecular Weight¹

384.89

• 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°	51.42	kJ/mol	Joback Calculated Property
log10WS	-5.42		Relay (1.0) Calculated Property
logPoct/wat	5.184		Crippen Calculated Property
McVol	301.890	ml/mol	McGowan Calculated Property
Pc	1211.51	kPa	Joback Calculated Property
Inp	[2666.00; 2666.00]
Inp	2666.00		NIST
Inp	2666.00		NIST
Tboil	659.82	K	Relay (1.0) Calculated Property
Tfus	283.31	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	[438.77; 970.07]	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			6.69280e+01
Coefficient B			1.54586e+00
Coefficient C			-6.84720e-04
Coefficient D			4.20000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	438.77	J/mol×K	273.00	Calculated Property
Cp,gas	529.98	J/mol×K	353.78	Calculated Property
Cp,gas	612.84	J/mol×K	434.56	Calculated Property
Cp,gas	687.47	J/mol×K	515.33	Calculated Property
Cp,gas	754.01	J/mol×K	596.11	Calculated Property
Cp,gas	812.61	J/mol×K	676.89	Calculated Property
Cp,gas	863.37	J/mol×K	757.67	Calculated Property
Cp,gas	906.45	J/mol×K	838.44	Calculated Property
Cp,gas	941.97	J/mol×K	919.22	Calculated Property
Cp,gas	970.07	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004577; 0.0000451]	Pa×s	[488.43; 751.45]	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			-1.43130e+01
Coefficient B			3.23521e+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.			488.43
Temperature range, max.			751.45
η	0.0004577	Pa×s	488.43	Calculated Property
η	0.0003149	Pa×s	517.65	Calculated Property
η	0.0002255	Pa×s	546.88	Calculated Property
η	0.0001670	Pa×s	576.10	Calculated Property
η	0.0001274	Pa×s	605.33	Calculated Property
η	0.0000996	Pa×s	634.55	Calculated Property
η	0.0000796	Pa×s	663.77	Calculated Property
η	0.0000648	Pa×s	693.00	Calculated Property
η	0.0000536	Pa×s	722.22	Calculated Property
η	0.0000451	Pa×s	751.45	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-ethylhexyl 4-chloro-2-methoxyphenyl ester.

Sources

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

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