Chemical Properties of Glutaric acid, di(3,3-dimethylbut-2-yl) ester

InChI

InChI=1S/C17H32O4/c1-12(16(3,4)5)20-14(18)10-9-11-15(19)21-13(2)17(6,7)8/h12-13H,9-11H2,1-8H3

InChI Key

UOKCSQAAEINRQD-UHFFFAOYSA-N

Formula

C17H32O4

SMILES

CC(OC(=O)CCCC(=O)OC(C)C(C)(C)C)C(C)(C)C

Molecular Weight¹

300.43

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1070.60	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.65	kJ/mol	Joback Calculated Property
ΔvapH°	77.37	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	4.112		Crippen Calculated Property
McVol	265.270	ml/mol	McGowan Calculated Property
Pc	1288.36	kPa	Joback Calculated Property
Inp	[1832.00; 1832.00]
Inp	1832.00		NIST
Inp	1832.00		NIST
Tboil	554.87	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Volume, 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	[395.24; 916.60]	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			-1.40570e+01
Coefficient B			1.77276e+00
Coefficient C			-1.06180e-03
Coefficient D			2.19700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	395.24	J/mol×K	273.00	Calculated Property
Cp,gas	489.94	J/mol×K	353.78	Calculated Property
Cp,gas	573.83	J/mol×K	434.56	Calculated Property
Cp,gas	647.59	J/mol×K	515.33	Calculated Property
Cp,gas	711.93	J/mol×K	596.11	Calculated Property
Cp,gas	767.55	J/mol×K	676.89	Calculated Property
Cp,gas	815.13	J/mol×K	757.67	Calculated Property
Cp,gas	855.36	J/mol×K	838.44	Calculated Property
Cp,gas	888.96	J/mol×K	919.22	Calculated Property
Cp,gas	916.60	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0051816; 0.0000711]	Pa×s	[340.85; 619.98]	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			-1.47898e+01
Coefficient B			3.24732e+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.			340.85
Temperature range, max.			619.98
η	0.0051816	Pa×s	340.85	Calculated Property
η	0.0023409	Pa×s	371.86	Calculated Property
η	0.0011952	Pa×s	402.88	Calculated Property
η	0.0006717	Pa×s	433.89	Calculated Property
η	0.0004077	Pa×s	464.91	Calculated Property
η	0.0002634	Pa×s	495.92	Calculated Property
η	0.0001792	Pa×s	526.94	Calculated Property
η	0.0001272	Pa×s	557.95	Calculated Property
η	0.0000936	Pa×s	588.97	Calculated Property
η	0.0000711	Pa×s	619.98	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, di(3,3-dimethylbut-2-yl) ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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