Chemical Properties of Glutaric acid, 1-cyclopentylethyl 3-methylbut-2-yl ester

InChI

InChI=1S/C17H30O4/c1-12(2)13(3)20-16(18)10-7-11-17(19)21-14(4)15-8-5-6-9-15/h12-15H,5-11H2,1-4H3

InChI Key

SAAHYBVVXXLZDV-UHFFFAOYSA-N

Formula

C17H30O4

SMILES

CC(C)C(C)OC(=O)CCCC(=O)OC(C)C1CCCC1

Molecular Weight¹

298.42

• 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	-1008.48	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.89	kJ/mol	Joback Calculated Property
ΔvapH°	84.86	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.866		Crippen Calculated Property
McVol	254.410	ml/mol	McGowan Calculated Property
Inp	[1922.00; 1922.00]
Inp	1922.00		NIST
Inp	1922.00		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	[364.62; 897.50]	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			-2.72770e+01
Coefficient B			1.65868e+00
Coefficient C			-8.48800e-04
Coefficient D			1.14900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	364.62	J/mol×K	273.00	Calculated Property
Cp,gas	458.38	J/mol×K	353.78	Calculated Property
Cp,gas	542.65	J/mol×K	434.56	Calculated Property
Cp,gas	617.81	J/mol×K	515.33	Calculated Property
Cp,gas	684.20	J/mol×K	596.11	Calculated Property
Cp,gas	742.20	J/mol×K	676.89	Calculated Property
Cp,gas	792.16	J/mol×K	757.67	Calculated Property
Cp,gas	834.46	J/mol×K	838.44	Calculated Property
Cp,gas	869.45	J/mol×K	919.22	Calculated Property
Cp,gas	897.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0060441; 0.0001184]	Pa×s	[331.91; 639.25]	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			-1.32885e+01
Coefficient B			2.71496e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			331.91
Temperature range, max.			639.25
η	0.0060441	Pa×s	331.91	Calculated Property
η	0.0028179	Pa×s	366.06	Calculated Property
η	0.0014965	Pa×s	400.21	Calculated Property
η	0.0008779	Pa×s	434.36	Calculated Property
η	0.0005567	Pa×s	468.50	Calculated Property
η	0.0003755	Pa×s	502.65	Calculated Property
η	0.0002663	Pa×s	536.80	Calculated Property
η	0.0001968	Pa×s	570.95	Calculated Property
η	0.0001505	Pa×s	605.10	Calculated Property
η	0.0001184	Pa×s	639.25	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1-cyclopentylethyl 3-methylbut-2-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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