Chemical Properties of Glutaric acid, di(4-chloro-2-methoxyphenyl) ester

InChI

InChI=1S/C19H18Cl2O6/c1-24-16-10-12(20)6-8-14(16)26-18(22)4-3-5-19(23)27-15-9-7-13(21)11-17(15)25-2/h6-11H,3-5H2,1-2H3

InChI Key

ZNELHFVDPOZCRQ-UHFFFAOYSA-N

Formula

C19H18Cl2O6

SMILES

COc1cc(Cl)ccc1OC(=O)CCCC(=O)Oc1ccc(Cl)cc1OC

Molecular Weight¹

413.25

• 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).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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°	51.00	kJ/mol	Joback Calculated Property
IE	8.00	eV	Relay (1.0) Calculated Property
log10WS	-5.25		Relay (1.0) Calculated Property
logPoct/wat	4.692		Crippen Calculated Property
McVol	282.150	ml/mol	McGowan Calculated Property
Inp	[3119.00; 3119.00]
Inp	3119.00		NIST
Inp	3119.00		NIST
Tboil	684.38	K	Relay (1.0) Calculated Property
Tfus	386.92	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[394.53; 820.10]	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			1.02603e+02
Coefficient B			1.19064e+00
Coefficient C			-4.33640e-04
Coefficient D			-3.95000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	394.53	J/mol×K	273.00	Calculated Property
Cp,gas	467.80	J/mol×K	353.78	Calculated Property
Cp,gas	534.87	J/mol×K	434.56	Calculated Property
Cp,gas	595.61	J/mol×K	515.33	Calculated Property
Cp,gas	649.90	J/mol×K	596.11	Calculated Property
Cp,gas	697.60	J/mol×K	676.89	Calculated Property
Cp,gas	738.60	J/mol×K	757.67	Calculated Property
Cp,gas	772.76	J/mol×K	838.44	Calculated Property
Cp,gas	799.97	J/mol×K	919.22	Calculated Property
Cp,gas	820.10	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001666; 0.0000359]	Pa×s	[595.77; 821.35]	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			-1.42849e+01
Coefficient B			3.32754e+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.			595.77
Temperature range, max.			821.35
η	0.0001666	Pa×s	595.77	Calculated Property
η	0.0001330	Pa×s	620.83	Calculated Property
η	0.0001080	Pa×s	645.90	Calculated Property
η	0.0000891	Pa×s	670.96	Calculated Property
η	0.0000745	Pa×s	696.03	Calculated Property
η	0.0000631	Pa×s	721.09	Calculated Property
η	0.0000541	Pa×s	746.16	Calculated Property
η	0.0000468	Pa×s	771.22	Calculated Property
η	0.0000408	Pa×s	796.29	Calculated Property
η	0.0000359	Pa×s	821.35	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, di(4-chloro-2-methoxyphenyl) ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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