Chemical Properties of Glutaric acid, 3-methylbut-2-yl 2,4-dimethylpent-3-yl ester

InChI

InChI=1S/C17H32O4/c1-11(2)14(7)20-15(18)9-8-10-16(19)21-17(12(3)4)13(5)6/h11-14,17H,8-10H2,1-7H3

InChI Key

QXMPUFLEUOOPJW-UHFFFAOYSA-N

Formula

C17H32O4

SMILES

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

Molecular Weight¹

300.44

• 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).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1056.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.91	kJ/mol	Joback Calculated Property
ΔvapH°	78.40	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.968		Crippen Calculated Property
McVol	265.270	ml/mol	McGowan Calculated Property
Inp	[1782.00; 1782.00]
Inp	1782.00		NIST
Inp	1782.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, 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	[397.22; 915.28]	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			2.98430e+01
Coefficient B			1.53884e+00
Coefficient C			-7.27800e-04
Coefficient D			7.44000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	397.22	J/mol×K	273.00	Calculated Property
Cp,gas	486.45	J/mol×K	353.78	Calculated Property
Cp,gas	567.22	J/mol×K	434.56	Calculated Property
Cp,gas	639.76	J/mol×K	515.33	Calculated Property
Cp,gas	704.30	J/mol×K	596.11	Calculated Property
Cp,gas	761.08	J/mol×K	676.89	Calculated Property
Cp,gas	810.33	J/mol×K	757.67	Calculated Property
Cp,gas	852.29	J/mol×K	838.44	Calculated Property
Cp,gas	887.20	J/mol×K	919.22	Calculated Property
Cp,gas	915.28	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0145783; 0.0000770]	Pa×s	[291.01; 619.10]	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			-1.41238e+01
Coefficient B			2.87970e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			291.01
Temperature range, max.			619.10
η	0.0145783	Pa×s	291.01	Calculated Property
η	0.0048449	Pa×s	327.46	Calculated Property
η	0.0020078	Pa×s	363.92	Calculated Property
η	0.0009768	Pa×s	400.37	Calculated Property
η	0.0005360	Pa×s	436.83	Calculated Property
η	0.0003226	Pa×s	473.28	Calculated Property
η	0.0002087	Pa×s	509.74	Calculated Property
η	0.0001432	Pa×s	546.19	Calculated Property
η	0.0001029	Pa×s	582.65	Calculated Property
η	0.0000770	Pa×s	619.10	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-methylbut-2-yl 2,4-dimethylpent-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

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.
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