Chemical Properties of Glutaric acid, isohexyl 2-pentyl ester

InChI

InChI=1S/C16H30O4/c1-5-8-14(4)20-16(18)11-6-10-15(17)19-12-7-9-13(2)3/h13-14H,5-12H2,1-4H3

InChI Key

CNXKRXQAWMNRRI-UHFFFAOYSA-N

Formula

C16H30O4

SMILES

CCCC(C)OC(=O)CCCC(=O)OCCCC(C)C

Molecular Weight¹

286.41

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[376.95; 862.08]	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			3.57980e+01
Coefficient B			1.42608e+00
Coefficient C			-6.63800e-04
Coefficient D			6.40000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	376.95	J/mol×K	273.00	Calculated Property
Cp,gas	460.07	J/mol×K	353.78	Calculated Property
Cp,gas	535.41	J/mol×K	434.56	Calculated Property
Cp,gas	603.18	J/mol×K	515.33	Calculated Property
Cp,gas	663.58	J/mol×K	596.11	Calculated Property
Cp,gas	716.81	J/mol×K	676.89	Calculated Property
Cp,gas	763.07	J/mol×K	757.67	Calculated Property
Cp,gas	802.57	J/mol×K	838.44	Calculated Property
Cp,gas	835.50	J/mol×K	919.22	Calculated Property
Cp,gas	862.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0047853; 0.0001102]	Pa×s	[324.74; 599.44]	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			-1.35706e+01
Coefficient B			2.67208e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			324.74
Temperature range, max.			599.44
η	0.0047853	Pa×s	324.74	Calculated Property
η	0.0023599	Pa×s	355.26	Calculated Property
η	0.0013015	Pa×s	385.78	Calculated Property
η	0.0007833	Pa×s	416.31	Calculated Property
η	0.0005052	Pa×s	446.83	Calculated Property
η	0.0003447	Pa×s	477.35	Calculated Property
η	0.0002462	Pa×s	507.87	Calculated Property
η	0.0001827	Pa×s	538.40	Calculated Property
η	0.0001400	Pa×s	568.92	Calculated Property
η	0.0001102	Pa×s	599.44	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, isohexyl 2-pentyl 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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