Chemical Properties of Glutaric acid, (2-methylcyclohex-1-enyl)methyl 3-methylbut-2-yl ester

InChI

InChI=1S/C18H30O4/c1-13(2)15(4)22-18(20)11-7-10-17(19)21-12-16-9-6-5-8-14(16)3/h13,15H,5-12H2,1-4H3

InChI Key

CAKDGMSLMYFZON-UHFFFAOYSA-N

Formula

C18H30O4

SMILES

CC1=C(COC(=O)CCCC(=O)OC(C)C(C)C)CCCC1

Molecular Weight¹

310.43

• 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°	35.28	kJ/mol	Joback Calculated Property
logPoct/wat	4.178		Crippen Calculated Property
McVol	264.200	ml/mol	McGowan Calculated Property
Inp	[2095.00; 2095.00]
Inp	2095.00		NIST
Inp	2095.00		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	[377.62; 906.29]	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			-1.18600e+00
Coefficient B			1.58968e+00
Coefficient C			-7.62200e-04
Coefficient D			8.00000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	377.62	J/mol×K	273.00	Calculated Property
Cp,gas	469.35	J/mol×K	353.78	Calculated Property
Cp,gas	552.25	J/mol×K	434.56	Calculated Property
Cp,gas	626.56	J/mol×K	515.33	Calculated Property
Cp,gas	692.54	J/mol×K	596.11	Calculated Property
Cp,gas	750.44	J/mol×K	676.89	Calculated Property
Cp,gas	800.51	J/mol×K	757.67	Calculated Property
Cp,gas	843.01	J/mol×K	838.44	Calculated Property
Cp,gas	878.18	J/mol×K	919.22	Calculated Property
Cp,gas	906.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020805; 0.0000720]	Pa×s	[384.70; 670.81]	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			-1.40620e+01
Coefficient B			3.03408e+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.			384.70
Temperature range, max.			670.81
η	0.0020805	Pa×s	384.70	Calculated Property
η	0.0011395	Pa×s	416.49	Calculated Property
η	0.0006798	Pa×s	448.28	Calculated Property
η	0.0004342	Pa×s	480.07	Calculated Property
η	0.0002933	Pa×s	511.86	Calculated Property
η	0.0002074	Pa×s	543.65	Calculated Property
η	0.0001523	Pa×s	575.44	Calculated Property
η	0.0001156	Pa×s	607.23	Calculated Property
η	0.0000902	Pa×s	639.02	Calculated Property
η	0.0000720	Pa×s	670.81	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, (2-methylcyclohex-1-enyl)methyl 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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