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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-258.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-947.39	kJ/mol	Joback Calculated Property
ΔfusH°	52.09	kJ/mol	Joback Calculated Property
ΔvapH°	89.50	kJ/mol	Joback Calculated Property
log10WS	-7.39		Crippen Calculated Property
logPoct/wat	6.765		Crippen Calculated Property
McVol	362.830	ml/mol	McGowan Calculated Property
Pc	935.77	kPa	Joback Calculated Property
Inp	[2705.00; 2705.00]
Inp	2705.00		NIST
Inp	2705.00		NIST
Tboil	941.81	K	Joback Calculated Property
Tc	1153.26	K	Joback Calculated Property
Tfus	493.97	K	Joback Calculated Property
Vc	1.391	m3/kmol	Joback Calculated Property

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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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