Chemical Properties of Glutaric acid, 2,3-dichlorophenyl 3-hexyl ester

InChI

InChI=1S/C17H22Cl2O4/c1-3-7-12(4-2)22-15(20)10-6-11-16(21)23-14-9-5-8-13(18)17(14)19/h5,8-9,12H,3-4,6-7,10-11H2,1-2H3

InChI Key

MCCCZKBYYTZNAX-UHFFFAOYSA-N

Formula

C17H22Cl2O4

SMILES

CCCC(CC)OC(=O)CCCC(=O)Oc1cccc(Cl)c1Cl

Molecular Weight¹

361.26

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	46.66	kJ/mol	Joback Calculated Property
logPoct/wat	5.191		Crippen Calculated Property
McVol	265.990	ml/mol	McGowan Calculated Property
Inp	[2400.00; 2400.00]
Inp	2400.00		NIST
Inp	2400.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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	[373.13; 805.07]	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			5.70460e+01
Coefficient B			1.33084e+00
Coefficient C			-6.52920e-04
Coefficient D			7.01000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	373.13	J/mol×K	273.00	Calculated Property
Cp,gas	449.25	J/mol×K	353.78	Calculated Property
Cp,gas	517.83	J/mol×K	434.56	Calculated Property
Cp,gas	579.07	J/mol×K	515.33	Calculated Property
Cp,gas	633.21	J/mol×K	596.11	Calculated Property
Cp,gas	680.46	J/mol×K	676.89	Calculated Property
Cp,gas	721.05	J/mol×K	757.67	Calculated Property
Cp,gas	755.20	J/mol×K	838.44	Calculated Property
Cp,gas	783.13	J/mol×K	919.22	Calculated Property
Cp,gas	805.07	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007511; 0.0000750]	Pa×s	[462.31; 716.50]	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			-1.36874e+01
Coefficient B			3.00196e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			462.31
Temperature range, max.			716.50
η	0.0007511	Pa×s	462.31	Calculated Property
η	0.0005168	Pa×s	490.55	Calculated Property
η	0.0003704	Pa×s	518.80	Calculated Property
η	0.0002747	Pa×s	547.04	Calculated Property
η	0.0002098	Pa×s	575.29	Calculated Property
η	0.0001644	Pa×s	603.53	Calculated Property
η	0.0001316	Pa×s	631.77	Calculated Property
η	0.0001074	Pa×s	660.02	Calculated Property
η	0.0000891	Pa×s	688.26	Calculated Property
η	0.0000750	Pa×s	716.50	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,3-dichlorophenyl 3-hexyl 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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