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

InChI

InChI=1S/C18H32O4/c1-12(2)15(5)21-17(19)7-6-8-18(20)22-16-10-9-13(3)14(4)11-16/h12-16H,6-11H2,1-5H3

InChI Key

QOZNEYQQEDLVKI-UHFFFAOYSA-N

Formula

C18H32O4

SMILES

CC(C)C(C)OC(=O)CCCC(=O)OC1CCC(C)C(C)C1

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).
• 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°	38.04	kJ/mol	Joback Calculated Property
logPoct/wat	4.112		Crippen Calculated Property
McVol	268.500	ml/mol	McGowan Calculated Property
Inp	[2048.00; 2048.00]
Inp	2048.00		NIST
Inp	2048.00		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	[385.79; 963.65]	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			-1.97470e+01
Coefficient B			1.68520e+00
Coefficient C			-7.42800e-04
Coefficient D			4.10000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	385.79	J/mol×K	273.00	Calculated Property
Cp,gas	485.29	J/mol×K	353.78	Calculated Property
Cp,gas	575.66	J/mol×K	434.56	Calculated Property
Cp,gas	657.04	J/mol×K	515.33	Calculated Property
Cp,gas	729.55	J/mol×K	596.11	Calculated Property
Cp,gas	793.33	J/mol×K	676.89	Calculated Property
Cp,gas	848.49	J/mol×K	757.67	Calculated Property
Cp,gas	895.19	J/mol×K	838.44	Calculated Property
Cp,gas	933.53	J/mol×K	919.22	Calculated Property
Cp,gas	963.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0034901; 0.0001196]	Pa×s	[346.18; 652.15]	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			-1.28486e+01
Coefficient B			2.48929e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			346.18
Temperature range, max.			652.15
η	0.0034901	Pa×s	346.18	Calculated Property
η	0.0018348	Pa×s	380.18	Calculated Property
η	0.0010719	Pa×s	414.17	Calculated Property
η	0.0006795	Pa×s	448.17	Calculated Property
η	0.0004593	Pa×s	482.17	Calculated Property
η	0.0003269	Pa×s	516.16	Calculated Property
η	0.0002427	Pa×s	550.16	Calculated Property
η	0.0001865	Pa×s	584.16	Calculated Property
η	0.0001475	Pa×s	618.15	Calculated Property
η	0.0001196	Pa×s	652.15	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3,4-dimethylcyclohexyl 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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