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

InChI

InChI=1S/C21H32O4/c1-16-8-3-5-10-18(16)14-24-20(22)12-7-13-21(23)25-15-19-11-6-4-9-17(19)2/h3-15H2,1-2H3

InChI Key

WORXIMRANCBTAC-UHFFFAOYSA-N

Formula

C21H32O4

SMILES

CC1=C(COC(=O)CCCC(=O)OCC2=C(C)CCCC2)CCCC1

Molecular Weight¹

348.48

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-839.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.30	kJ/mol	Joback Calculated Property
ΔvapH°	103.90	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.22		Relay (1.0) Calculated Property
logPoct/wat	5.024		Crippen Calculated Property
McVol	291.310	ml/mol	McGowan Calculated Property
Pc	1335.88	kPa	Joback Calculated Property
Inp	[2610.00; 2610.00]
Inp	2610.00		NIST
Inp	2610.00		NIST
Tboil	658.02	K	Relay (1.0) Calculated Property
Tc	862.36	K	Relay (1.0) Calculated Property
Tfus	338.73	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[942.53; 1024.49]	J/mol×K	[863.20; 1077.88]
Cp,gas	942.53	J/mol×K	863.20	Joback Calculated Property
Cp,gas	960.03	J/mol×K	898.98	Joback Calculated Property
Cp,gas	975.95	J/mol×K	934.76	Joback Calculated Property
Cp,gas	990.33	J/mol×K	970.54	Joback Calculated Property
Cp,gas	1003.19	J/mol×K	1006.32	Joback Calculated Property
Cp,gas	1014.57	J/mol×K	1042.10	Joback Calculated Property
Cp,gas	1024.49	J/mol×K	1077.88	Joback Calculated Property
η	[0.0000277; 0.0005977]	Pa×s	[485.93; 863.20]
η	0.0005977	Pa×s	485.93	Joback Calculated Property
η	0.0002672	Pa×s	548.81	Joback Calculated Property
η	0.0001409	Pa×s	611.69	Joback Calculated Property
η	0.0000838	Pa×s	674.57	Joback Calculated Property
η	0.0000544	Pa×s	737.44	Joback Calculated Property
η	0.0000378	Pa×s	800.32	Joback Calculated Property
η	0.0000277	Pa×s	863.20	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.