Chemical Properties of Glutaric acid, 3-methylbut-2-en cis-4-tert-butylcyclohexyl ester

InChI

InChI=1S/C20H34O4/c1-15(2)13-14-23-18(21)7-6-8-19(22)24-17-11-9-16(10-12-17)20(3,4)5/h13,16-17H,6-12,14H2,1-5H3

InChI Key

SZOPDQQSOAVDTG-UHFFFAOYSA-N

Formula

C20H34O4

SMILES

CC(C)=CCOC(=O)CCCC(=O)OC1CCC(C(C)(C)C)CC1

Molecular Weight¹

338.48

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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°	-259.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-813.07	kJ/mol	Joback Calculated Property
ΔfusH°	37.51	kJ/mol	Joback Calculated Property
ΔvapH°	77.29	kJ/mol	Joback Calculated Property
log10WS	-5.30		Crippen Calculated Property
logPoct/wat	4.814		Crippen Calculated Property
McVol	292.380	ml/mol	McGowan Calculated Property
Pc	1277.33	kPa	Joback Calculated Property
Inp	[2292.00; 2292.00]
Inp	2292.00		NIST
Inp	2292.00		NIST
Tboil	825.27	K	Joback Calculated Property
Tc	1032.08	K	Joback Calculated Property
Tfus	446.00	K	Joback Calculated Property
Vc	1.105	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[944.37; 1040.59]	J/mol×K	[825.27; 1032.08]
Cp,gas	944.37	J/mol×K	825.27	Joback Calculated Property
Cp,gas	963.62	J/mol×K	859.74	Joback Calculated Property
Cp,gas	981.51	J/mol×K	894.21	Joback Calculated Property
Cp,gas	998.11	J/mol×K	928.67	Joback Calculated Property
Cp,gas	1013.45	J/mol×K	963.14	Joback Calculated Property
Cp,gas	1027.60	J/mol×K	997.61	Joback Calculated Property
Cp,gas	1040.59	J/mol×K	1032.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-methylbut-2-en cis-4-tert-butylcyclohexyl ester.

Sources

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

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