Chemical Properties of Glutaric acid, 2,4-dichloronaphthyl isobutyl ester

InChI

InChI=1S/C19H20Cl2O4/c1-12(2)11-24-17(22)8-5-9-18(23)25-19-14-7-4-3-6-13(14)15(20)10-16(19)21/h3-4,6-7,10,12H,5,8-9,11H2,1-2H3

InChI Key

UOTBHJDCJKDTFK-UHFFFAOYSA-N

Formula

C19H20Cl2O4

SMILES

CC(C)COC(=O)CCCC(=O)Oc1c(Cl)cc(Cl)c2ccccc12

Molecular Weight¹

383.27

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-719.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	48.47	kJ/mol	Joback Calculated Property
ΔvapH°	110.53	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	5.422		Crippen Calculated Property
McVol	274.710	ml/mol	McGowan Calculated Property
Pc	1517.57	kPa	Joback Calculated Property
Inp	[2845.00; 2845.00]
Inp	2845.00		NIST
Inp	2845.00		NIST
Tboil	670.33	K	Relay (1.0) Calculated Property
Tc	935.13	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[377.11; 814.42]	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			3.80840e+01
Coefficient B			1.45764e+00
Coefficient C			-8.31400e-04
Coefficient D			1.50100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	377.11	J/mol×K	273.00	Calculated Property
Cp,gas	456.35	J/mol×K	353.78	Calculated Property
Cp,gas	526.83	J/mol×K	434.56	Calculated Property
Cp,gas	589.00	J/mol×K	515.33	Calculated Property
Cp,gas	643.36	J/mol×K	596.11	Calculated Property
Cp,gas	690.37	J/mol×K	676.89	Calculated Property
Cp,gas	730.50	J/mol×K	757.67	Calculated Property
Cp,gas	764.24	J/mol×K	838.44	Calculated Property
Cp,gas	792.06	J/mol×K	919.22	Calculated Property
Cp,gas	814.42	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005816; 0.0001065]	Pa×s	[530.07; 775.81]	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			-1.28103e+01
Coefficient B			2.84146e+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.			530.07
Temperature range, max.			775.81
η	0.0005816	Pa×s	530.07	Calculated Property
η	0.0004473	Pa×s	557.37	Calculated Property
η	0.0003525	Pa×s	584.68	Calculated Property
η	0.0002838	Pa×s	611.98	Calculated Property
η	0.0002328	Pa×s	639.29	Calculated Property
η	0.0001940	Pa×s	666.59	Calculated Property
η	0.0001641	Pa×s	693.90	Calculated Property
η	0.0001405	Pa×s	721.20	Calculated Property
η	0.0001217	Pa×s	748.51	Calculated Property
η	0.0001065	Pa×s	775.81	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,4-dichloronaphthyl isobutyl ester.

Sources

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

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