Chemical Properties of Glutaric acid, 2,2-dichloroethyl 2-methylphenyl ester

InChI

InChI=1S/C14H16Cl2O4/c1-10-5-2-3-6-11(10)20-14(18)8-4-7-13(17)19-9-12(15)16/h2-3,5-6,12H,4,7-9H2,1H3

InChI Key

XPHLYCYFAKQAQQ-UHFFFAOYSA-N

Formula

C14H16Cl2O4

SMILES

Cc1ccccc1OC(=O)CCCC(=O)OCC(Cl)Cl

Molecular Weight¹

319.18

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	39.28	kJ/mol	Joback Calculated Property
IE	8.92	eV	Relay (1.0) Calculated Property
logPoct/wat	3.418		Crippen Calculated Property
McVol	223.720	ml/mol	McGowan Calculated Property
Inp	[2192.00; 2192.00]
Inp	2192.00		NIST
Inp	2192.00		NIST
Tboil	617.57	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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, Log10 of Water solubility in mol/l 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	[306.94; 653.33]	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			4.54740e+01
Coefficient B			1.10532e+00
Coefficient C			-5.56760e-04
Coefficient D			5.93000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	306.94	J/mol×K	273.00	Calculated Property
Cp,gas	369.45	J/mol×K	353.78	Calculated Property
Cp,gas	425.53	J/mol×K	434.56	Calculated Property
Cp,gas	475.34	J/mol×K	515.33	Calculated Property
Cp,gas	519.09	J/mol×K	596.11	Calculated Property
Cp,gas	556.95	J/mol×K	676.89	Calculated Property
Cp,gas	589.12	J/mol×K	757.67	Calculated Property
Cp,gas	615.78	J/mol×K	838.44	Calculated Property
Cp,gas	637.12	J/mol×K	919.22	Calculated Property
Cp,gas	653.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012973; 0.0001049]	Pa×s	[415.98; 668.28]	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			-1.33082e+01
Coefficient B			2.77074e+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.			415.98
Temperature range, max.			668.28
η	0.0012973	Pa×s	415.98	Calculated Property
η	0.0008519	Pa×s	444.01	Calculated Property
η	0.0005881	Pa×s	472.05	Calculated Property
η	0.0004232	Pa×s	500.08	Calculated Property
η	0.0003154	Pa×s	528.11	Calculated Property
η	0.0002421	Pa×s	556.15	Calculated Property
η	0.0001906	Pa×s	584.18	Calculated Property
η	0.0001534	Pa×s	612.21	Calculated Property
η	0.0001258	Pa×s	640.25	Calculated Property
η	0.0001049	Pa×s	668.28	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2-dichloroethyl 2-methylphenyl 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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