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

InChI

InChI=1S/C16H26O4/c1-6-9-14(7-2)20-16(18)11-8-10-15(17)19-13(5)12(3)4/h6-7,12-14H,1-2,8-11H2,3-5H3

InChI Key

CQDDWSWNJBSPNN-UHFFFAOYSA-N

Formula

C16H26O4

SMILES

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

Molecular Weight¹

282.38

• 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°	32.80	kJ/mol	Joback Calculated Property
logPoct/wat	3.418		Crippen Calculated Property
McVol	242.580	ml/mol	McGowan Calculated Property
Inp	[1713.00; 1713.00]
Inp	1713.00		NIST
Inp	1713.00		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	[357.01; 805.59]	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			2.81340e+01
Coefficient B			1.39196e+00
Coefficient C			-7.12800e-04
Coefficient D			9.83000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	357.01	J/mol×K	273.00	Calculated Property
Cp,gas	435.72	J/mol×K	353.78	Calculated Property
Cp,gas	506.48	J/mol×K	434.56	Calculated Property
Cp,gas	569.61	J/mol×K	515.33	Calculated Property
Cp,gas	625.43	J/mol×K	596.11	Calculated Property
Cp,gas	674.23	J/mol×K	676.89	Calculated Property
Cp,gas	716.34	J/mol×K	757.67	Calculated Property
Cp,gas	752.06	J/mol×K	838.44	Calculated Property
Cp,gas	781.71	J/mol×K	919.22	Calculated Property
Cp,gas	805.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0065992; 0.0001074]	Pa×s	[306.22; 599.15]	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			-1.34447e+01
Coefficient B			2.57958e+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.			306.22
Temperature range, max.			599.15
η	0.0065992	Pa×s	306.22	Calculated Property
η	0.0029376	Pa×s	338.77	Calculated Property
η	0.0015070	Pa×s	371.32	Calculated Property
η	0.0008609	Pa×s	403.86	Calculated Property
η	0.0005347	Pa×s	436.41	Calculated Property
η	0.0003547	Pa×s	468.96	Calculated Property
η	0.0002482	Pa×s	501.51	Calculated Property
η	0.0001814	Pa×s	534.06	Calculated Property
η	0.0001375	Pa×s	566.60	Calculated Property
η	0.0001074	Pa×s	599.15	Calculated Property

Similar Compounds

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.