Chemical Properties of Glutaric acid, 2-ethylhexyl 2,6-dichlorophenyl ester

InChI

InChI=1S/C19H26Cl2O4/c1-3-5-8-14(4-2)13-24-17(22)11-7-12-18(23)25-19-15(20)9-6-10-16(19)21/h6,9-10,14H,3-5,7-8,11-13H2,1-2H3

InChI Key

SLFGEXUBIQIPIH-UHFFFAOYSA-N

Formula

C19H26Cl2O4

SMILES

CCCCC(CC)COC(=O)CCCC(=O)Oc1c(Cl)cccc1Cl

Molecular Weight¹

389.31

• 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°	51.84	kJ/mol	Joback Calculated Property
log10WS	-5.98		Relay (1.0) Calculated Property
logPoct/wat	5.829		Crippen Calculated Property
McVol	294.170	ml/mol	McGowan Calculated Property
Pc	1278.25	kPa	Joback Calculated Property
Inp	[2602.00; 2602.00]
Inp	2602.00		NIST
Inp	2602.00		NIST
Tboil	627.59	K	Relay (1.0) Calculated Property
Tfus	276.15	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	[415.56; 908.25]	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			5.52280e+01
Coefficient B			1.52084e+00
Coefficient C			-7.61720e-04
Coefficient D			9.39000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	415.56	J/mol×K	273.00	Calculated Property
Cp,gas	502.09	J/mol×K	353.78	Calculated Property
Cp,gas	579.98	J/mol×K	434.56	Calculated Property
Cp,gas	649.53	J/mol×K	515.33	Calculated Property
Cp,gas	711.03	J/mol×K	596.11	Calculated Property
Cp,gas	764.79	J/mol×K	676.89	Calculated Property
Cp,gas	811.09	J/mol×K	757.67	Calculated Property
Cp,gas	850.23	J/mol×K	838.44	Calculated Property
Cp,gas	882.52	J/mol×K	919.22	Calculated Property
Cp,gas	908.25	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005928; 0.0000585]	Pa×s	[484.85; 748.11]	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			-1.40106e+01
Coefficient B			3.19028e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			484.85
Temperature range, max.			748.11
η	0.0005928	Pa×s	484.85	Calculated Property
η	0.0004077	Pa×s	514.10	Calculated Property
η	0.0002919	Pa×s	543.35	Calculated Property
η	0.0002163	Pa×s	572.60	Calculated Property
η	0.0001650	Pa×s	601.85	Calculated Property
η	0.0001290	Pa×s	631.10	Calculated Property
η	0.0001031	Pa×s	660.35	Calculated Property
η	0.0000840	Pa×s	689.60	Calculated Property
η	0.0000696	Pa×s	718.85	Calculated Property
η	0.0000585	Pa×s	748.11	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-ethylhexyl 2,6-dichlorophenyl ester.

Sources

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

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