Chemical Properties of Glutaric acid, cyclohexylmethyl 2-ethylbutyl ester

InChI

InChI=1S/C18H32O4/c1-3-15(4-2)13-21-17(19)11-8-12-18(20)22-14-16-9-6-5-7-10-16/h15-16H,3-14H2,1-2H3

InChI Key

WGFDHNRRDWGGIK-UHFFFAOYSA-N

Formula

C18H32O4

SMILES

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

Molecular Weight¹

312.44

• 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).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	39.43	kJ/mol	Joback Calculated Property
log10WS	-4.28		Relay (1.0) Calculated Property
logPoct/wat	4.260		Crippen Calculated Property
McVol	268.500	ml/mol	McGowan Calculated Property
Inp	[2200.00; 2200.00]
Inp	2200.00		NIST
Inp	2200.00		NIST
Tfus	237.72	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 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	[381.57; 949.80]	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			-2.99430e+01
Coefficient B			1.73224e+00
Coefficient C			-8.50400e-04
Coefficient D			9.79000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	381.57	J/mol×K	273.00	Calculated Property
Cp,gas	480.78	J/mol×K	353.78	Calculated Property
Cp,gas	570.26	J/mol×K	434.56	Calculated Property
Cp,gas	650.30	J/mol×K	515.33	Calculated Property
Cp,gas	721.21	J/mol×K	596.11	Calculated Property
Cp,gas	783.32	J/mol×K	676.89	Calculated Property
Cp,gas	836.92	J/mol×K	757.67	Calculated Property
Cp,gas	882.33	J/mol×K	838.44	Calculated Property
Cp,gas	919.85	J/mol×K	919.22	Calculated Property
Cp,gas	949.80	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0030252; 0.0000922]	Pa×s	[369.66; 657.61]	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			-1.37726e+01
Coefficient B			2.94685e+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.			369.66
Temperature range, max.			657.61
η	0.0030252	Pa×s	369.66	Calculated Property
η	0.0016032	Pa×s	401.65	Calculated Property
η	0.0009330	Pa×s	433.65	Calculated Property
η	0.0005849	Pa×s	465.64	Calculated Property
η	0.0003894	Pa×s	497.64	Calculated Property
η	0.0002723	Pa×s	529.63	Calculated Property
η	0.0001983	Pa×s	561.63	Calculated Property
η	0.0001495	Pa×s	593.62	Calculated Property
η	0.0001160	Pa×s	625.62	Calculated Property
η	0.0000922	Pa×s	657.61	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, cyclohexylmethyl 2-ethylbutyl 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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