Chemical Properties of Glutaric acid, hexa-1,5-dien-3-yl 2,2-dichloroethyl ester

InChI

InChI=1S/C13H18Cl2O4/c1-3-6-10(4-2)19-13(17)8-5-7-12(16)18-9-11(14)15/h3-4,10-11H,1-2,5-9H2

InChI Key

CMHBCXVWJBSSJM-UHFFFAOYSA-N

Formula

C13H18Cl2O4

SMILES

C=CCC(C=C)OC(=O)CCCC(=O)OCC(Cl)Cl

Molecular Weight¹

309.19

• 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°	36.95	kJ/mol	Joback Calculated Property
logPoct/wat	3.177		Crippen Calculated Property
McVol	224.790	ml/mol	McGowan Calculated Property
Inp	[1858.00; 1858.00]
Inp	1858.00		NIST
Inp	1858.00		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	[320.50; 666.83]	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			5.83250e+01
Coefficient B			1.11460e+00
Coefficient C			-5.87200e-04
Coefficient D			8.11000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	320.50	J/mol×K	273.00	Calculated Property
Cp,gas	382.74	J/mol×K	353.78	Calculated Property
Cp,gas	438.45	J/mol×K	434.56	Calculated Property
Cp,gas	487.87	J/mol×K	515.33	Calculated Property
Cp,gas	531.27	J/mol×K	596.11	Calculated Property
Cp,gas	568.89	J/mol×K	676.89	Calculated Property
Cp,gas	601.01	J/mol×K	757.67	Calculated Property
Cp,gas	627.86	J/mol×K	838.44	Calculated Property
Cp,gas	649.72	J/mol×K	919.22	Calculated Property
Cp,gas	666.83	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0032859; 0.0001300]	Pa×s	[347.25; 610.32]	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			-1.32110e+01
Coefficient B			2.60192e+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.			347.25
Temperature range, max.			610.32
η	0.0032859	Pa×s	347.25	Calculated Property
η	0.0018365	Pa×s	376.48	Calculated Property
η	0.0011162	Pa×s	405.71	Calculated Property
η	0.0007254	Pa×s	434.94	Calculated Property
η	0.0004977	Pa×s	464.17	Calculated Property
η	0.0003571	Pa×s	493.40	Calculated Property
η	0.0002659	Pa×s	522.63	Calculated Property
η	0.0002042	Pa×s	551.86	Calculated Property
η	0.0001611	Pa×s	581.09	Calculated Property
η	0.0001300	Pa×s	610.32	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, hexa-1,5-dien-3-yl 2,2-dichloroethyl 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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