Chemical Properties of Glutaric acid, 2-decyl 2,4-dichloro-1-naphthyl ester

InChI

InChI=1S/C25H32Cl2O4/c1-3-4-5-6-7-8-12-18(2)30-23(28)15-11-16-24(29)31-25-20-14-10-9-13-19(20)21(26)17-22(25)27/h9-10,13-14,17-18H,3-8,11-12,15-16H2,1-2H3

InChI Key

FVYSPBKEKMBINP-UHFFFAOYSA-N

Formula

C25H32Cl2O4

SMILES

CCCCCCCCC(C)OC(=O)CCCC(=O)Oc1c(Cl)cc(Cl)c2ccccc12

Molecular Weight¹

467.43

• 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).
• 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°	64.01	kJ/mol	Joback Calculated Property
logPoct/wat	7.905		Crippen Calculated Property
McVol	359.250	ml/mol	McGowan Calculated Property
Inp	[3341.00; 3341.00]
Inp	3341.00		NIST
Inp	3341.00		NIST
Tboil	704.85	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, 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	[504.39; 1123.97]	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			3.26300e+01
Coefficient B			2.02764e+00
Coefficient C			-1.15780e-03
Coefficient D			2.21500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	504.39	J/mol×K	273.00	Calculated Property
Cp,gas	614.86	J/mol×K	353.78	Calculated Property
Cp,gas	713.29	J/mol×K	434.56	Calculated Property
Cp,gas	800.38	J/mol×K	515.33	Calculated Property
Cp,gas	876.83	J/mol×K	596.11	Calculated Property
Cp,gas	943.33	J/mol×K	676.89	Calculated Property
Cp,gas	1000.60	J/mol×K	757.67	Calculated Property
Cp,gas	1049.33	J/mol×K	838.44	Calculated Property
Cp,gas	1090.22	J/mol×K	919.22	Calculated Property
Cp,gas	1123.97	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003016; 0.0000491]	Pa×s	[597.69; 877.15]	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			-1.38057e+01
Coefficient B			3.40642e+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.			597.69
Temperature range, max.			877.15
η	0.0003016	Pa×s	597.69	Calculated Property
η	0.0002276	Pa×s	628.74	Calculated Property
η	0.0001764	Pa×s	659.79	Calculated Property
η	0.0001398	Pa×s	690.84	Calculated Property
η	0.0001131	Pa×s	721.90	Calculated Property
η	0.0000931	Pa×s	752.95	Calculated Property
η	0.0000778	Pa×s	784.00	Calculated Property
η	0.0000660	Pa×s	815.05	Calculated Property
η	0.0000566	Pa×s	846.10	Calculated Property
η	0.0000491	Pa×s	877.15	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-decyl 2,4-dichloro-1-naphthyl 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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