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

InChI

InChI=1S/C18H32O4/c1-5-15-9-6-7-10-16(15)22-18(20)12-8-11-17(19)21-14(4)13(2)3/h13-16H,5-12H2,1-4H3

InChI Key

QWAZXZQFEJABRE-UHFFFAOYSA-N

Formula

C18H32O4

SMILES

CCC1CCCCC1OC(=O)CCCC(=O)OC(C)C(C)C

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).
• 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
ΔfusH°	36.97	kJ/mol	Joback Calculated Property
ΔvapH°	87.95	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	4.256		Crippen Calculated Property
McVol	268.500	ml/mol	McGowan Calculated Property
Inp	[2005.00; 2005.00]
Inp	2005.00		NIST
Inp	2005.00		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, 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	[383.52; 956.99]	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			-2.56860e+01
Coefficient B			1.71168e+00
Coefficient C			-7.98200e-04
Coefficient D			6.92000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	383.52	J/mol×K	273.00	Calculated Property
Cp,gas	483.03	J/mol×K	353.78	Calculated Property
Cp,gas	573.08	J/mol×K	434.56	Calculated Property
Cp,gas	653.89	J/mol×K	515.33	Calculated Property
Cp,gas	725.68	J/mol×K	596.11	Calculated Property
Cp,gas	788.67	J/mol×K	676.89	Calculated Property
Cp,gas	843.08	J/mol×K	757.67	Calculated Property
Cp,gas	889.12	J/mol×K	838.44	Calculated Property
Cp,gas	927.02	J/mol×K	919.22	Calculated Property
Cp,gas	956.99	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0038220; 0.0001008]	Pa×s	[350.42; 655.60]	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			-1.33776e+01
Coefficient B			2.73698e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			350.42
Temperature range, max.			655.60
η	0.0038220	Pa×s	350.42	Calculated Property
η	0.0019187	Pa×s	384.33	Calculated Property
η	0.0010771	Pa×s	418.24	Calculated Property
η	0.0006594	Pa×s	452.15	Calculated Property
η	0.0004322	Pa×s	486.05	Calculated Property
η	0.0002994	Pa×s	519.96	Calculated Property
η	0.0002169	Pa×s	553.87	Calculated Property
η	0.0001631	Pa×s	587.78	Calculated Property
η	0.0001265	Pa×s	621.69	Calculated Property
η	0.0001008	Pa×s	655.60	Calculated Property

Similar Compounds

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