Chemical Properties of Glutaric acid, (2-methylcyclohex-1-enyl)methyl cyclohexylmethyl ester

InChI

InChI=1S/C20H32O4/c1-16-8-5-6-11-18(16)15-24-20(22)13-7-12-19(21)23-14-17-9-3-2-4-10-17/h17H,2-15H2,1H3

InChI Key

FORLWRMUCYQMGW-UHFFFAOYSA-N

Formula

C20H32O4

SMILES

CC1=C(COC(=O)CCCC(=O)OCC2CCCCC2)CCCC1

Molecular Weight¹

336.47

• 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°	39.34	kJ/mol	Joback Calculated Property
logPoct/wat	4.714		Crippen Calculated Property
McVol	281.520	ml/mol	McGowan Calculated Property
Inp	[2515.00; 2515.00]
Inp	2515.00		NIST
Inp	2515.00		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	[382.56; 993.48]	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			-6.52450e+01
Coefficient B			1.88992e+00
Coefficient C			-9.45600e-04
Coefficient D			1.14400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	382.56	J/mol×K	273.00	Calculated Property
Cp,gas	490.08	J/mol×K	353.78	Calculated Property
Cp,gas	586.85	J/mol×K	434.56	Calculated Property
Cp,gas	673.23	J/mol×K	515.33	Calculated Property
Cp,gas	749.57	J/mol×K	596.11	Calculated Property
Cp,gas	816.25	J/mol×K	676.89	Calculated Property
Cp,gas	873.61	J/mol×K	757.67	Calculated Property
Cp,gas	922.03	J/mol×K	838.44	Calculated Property
Cp,gas	961.86	J/mol×K	919.22	Calculated Property
Cp,gas	993.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011368; 0.0000650]	Pa×s	[444.62; 727.55]	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			-1.41365e+01
Coefficient B			3.27103e+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.			444.62
Temperature range, max.			727.55
η	0.0011368	Pa×s	444.62	Calculated Property
η	0.0006993	Pa×s	476.06	Calculated Property
η	0.0004569	Pa×s	507.49	Calculated Property
η	0.0003137	Pa×s	538.93	Calculated Property
η	0.0002245	Pa×s	570.37	Calculated Property
η	0.0001664	Pa×s	601.81	Calculated Property
η	0.0001270	Pa×s	633.24	Calculated Property
η	0.0000995	Pa×s	664.68	Calculated Property
η	0.0000797	Pa×s	696.12	Calculated Property
η	0.0000650	Pa×s	727.55	Calculated Property

Similar Compounds

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