Chemical Properties of Glutaric acid, 2,3-dichlorophenyl 2-methylhex-3-yl ester

InChI

InChI=1S/C18H24Cl2O4/c1-4-7-14(12(2)3)23-16(21)10-6-11-17(22)24-15-9-5-8-13(19)18(15)20/h5,8-9,12,14H,4,6-7,10-11H2,1-3H3

InChI Key

SOEUJDUFPZYMCU-UHFFFAOYSA-N

Formula

C18H24Cl2O4

SMILES

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

Molecular Weight¹

375.29

• 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°	45.72	kJ/mol	Joback Calculated Property
logPoct/wat	5.437		Crippen Calculated Property
McVol	280.080	ml/mol	McGowan Calculated Property
Inp	[2478.00; 2478.00]
Inp	2478.00		NIST
Inp	2478.00		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	[394.03; 857.19]	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			5.44550e+01
Coefficient B			1.43176e+00
Coefficient C			-7.10520e-04
Coefficient D			8.15000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	394.03	J/mol×K	273.00	Calculated Property
Cp,gas	475.66	J/mol×K	353.78	Calculated Property
Cp,gas	549.15	J/mol×K	434.56	Calculated Property
Cp,gas	614.75	J/mol×K	515.33	Calculated Property
Cp,gas	672.72	J/mol×K	596.11	Calculated Property
Cp,gas	723.33	J/mol×K	676.89	Calculated Property
Cp,gas	766.82	J/mol×K	757.67	Calculated Property
Cp,gas	803.46	J/mol×K	838.44	Calculated Property
Cp,gas	833.50	J/mol×K	919.22	Calculated Property
Cp,gas	857.19	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007862; 0.0000607]	Pa×s	[458.58; 733.35]	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			-1.39823e+01
Coefficient B			3.13394e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			458.58
Temperature range, max.			733.35
η	0.0007862	Pa×s	458.58	Calculated Property
η	0.0005132	Pa×s	489.11	Calculated Property
η	0.0003522	Pa×s	519.64	Calculated Property
η	0.0002520	Pa×s	550.17	Calculated Property
η	0.0001868	Pa×s	580.70	Calculated Property
η	0.0001427	Pa×s	611.23	Calculated Property
η	0.0001118	Pa×s	641.76	Calculated Property
η	0.0000896	Pa×s	672.29	Calculated Property
η	0.0000731	Pa×s	702.82	Calculated Property
η	0.0000607	Pa×s	733.35	Calculated Property

Similar Compounds

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