Chemical Properties of Glutaric acid, cyclohexylmethyl neopentyl ester

InChI

InChI=1S/C17H30O4/c1-17(2,3)13-21-16(19)11-7-10-15(18)20-12-14-8-5-4-6-9-14/h14H,4-13H2,1-3H3

InChI Key

MLKCIIWAILWIFW-UHFFFAOYSA-N

Formula

C17H30O4

SMILES

CC(C)(C)COC(=O)CCCC(=O)OCC1CCCCC1

Molecular Weight¹

298.42

• 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°	32.94	kJ/mol	Joback Calculated Property
logPoct/wat	3.870		Crippen Calculated Property
McVol	254.410	ml/mol	McGowan Calculated Property
Inp	[2032.00; 2032.00]
Inp	2032.00		NIST
Inp	2032.00		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	[359.21; 899.13]	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			-5.18250e+01
Coefficient B			1.75716e+00
Coefficient C			-9.64600e-04
Coefficient D			1.58400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	359.21	J/mol×K	273.00	Calculated Property
Cp,gas	456.10	J/mol×K	353.78	Calculated Property
Cp,gas	542.60	J/mol×K	434.56	Calculated Property
Cp,gas	619.21	J/mol×K	515.33	Calculated Property
Cp,gas	686.42	J/mol×K	596.11	Calculated Property
Cp,gas	744.74	J/mol×K	676.89	Calculated Property
Cp,gas	794.67	J/mol×K	757.67	Calculated Property
Cp,gas	836.72	J/mol×K	838.44	Calculated Property
Cp,gas	871.37	J/mol×K	919.22	Calculated Property
Cp,gas	899.13	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0027689; 0.0000938]	Pa×s	[375.81; 643.88]	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			-1.40195e+01
Coefficient B			3.05541e+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.			375.81
Temperature range, max.			643.88
η	0.0027689	Pa×s	375.81	Calculated Property
η	0.0015241	Pa×s	405.60	Calculated Property
η	0.0009103	Pa×s	435.38	Calculated Property
η	0.0005808	Pa×s	465.17	Calculated Property
η	0.0003912	Pa×s	494.95	Calculated Property
η	0.0002755	Pa×s	524.74	Calculated Property
η	0.0002015	Pa×s	554.52	Calculated Property
η	0.0001522	Pa×s	584.31	Calculated Property
η	0.0001181	Pa×s	614.09	Calculated Property
η	0.0000938	Pa×s	643.88	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, cyclohexylmethyl neopentyl 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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