Chemical Properties of Glutaric acid, 1-(cyclohex-2-enyl)hex-3-yl 2-ethylhexyl ester

InChI

InChI=1S/C25H44O4/c1-4-7-13-21(6-3)20-28-24(26)16-11-17-25(27)29-23(12-5-2)19-18-22-14-9-8-10-15-22/h9,14,21-23H,4-8,10-13,15-20H2,1-3H3

InChI Key

HVPFUGVHBIYVLL-UHFFFAOYSA-N

Formula

C25H44O4

SMILES

CCCCC(CC)COC(=O)CCCC(=O)OC(CCC)CCC1C=CCCC1

Molecular Weight¹

408.61

• 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).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• 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
ΔfusH°	52.09	kJ/mol	Joback Calculated Property
ΔvapH°	110.75	kJ/mol	Relay (1.0) Calculated Property
IE	8.68	eV	Relay (1.0) Calculated Property
log10WS	-5.87		Relay (1.0) Calculated Property
logPoct/wat	6.765		Crippen Calculated Property
McVol	362.830	ml/mol	McGowan Calculated Property
Inp	[2705.00; 2705.00]
Inp	2705.00		NIST
Inp	2705.00		NIST
Tc	845.90	K	Relay (1.0) Calculated Property
Tfus	239.02	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[1248.54; 1339.07]	J/mol×K	[941.81; 1153.26]
Cp,gas	1248.54	J/mol×K	941.81	Joback Calculated Property
Cp,gas	1267.51	J/mol×K	977.05	Joback Calculated Property
Cp,gas	1284.87	J/mol×K	1012.29	Joback Calculated Property
Cp,gas	1300.66	J/mol×K	1047.53	Joback Calculated Property
Cp,gas	1314.92	J/mol×K	1082.77	Joback Calculated Property
Cp,gas	1327.71	J/mol×K	1118.02	Joback Calculated Property
Cp,gas	1339.07	J/mol×K	1153.26	Joback Calculated Property
η	[0.0000235; 0.0006869]	Pa×s	[493.97; 941.81]
η	0.0006869	Pa×s	493.97	Joback Calculated Property
η	0.0002706	Pa×s	568.61	Joback Calculated Property
η	0.0001323	Pa×s	643.25	Joback Calculated Property
η	0.0000751	Pa×s	717.89	Joback Calculated Property
η	0.0000474	Pa×s	792.53	Joback Calculated Property
η	0.0000324	Pa×s	867.17	Joback Calculated Property
η	0.0000235	Pa×s	941.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1-(cyclohex-2-enyl)hex-3-yl 2-ethylhexyl 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.