Chemical Properties of Glutaric acid, 3-methylbut-2-en-1-yl octadecyl ester

InChI

InChI=1S/C28H52O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-31-27(29)21-20-22-28(30)32-25-23-26(2)3/h23H,4-22,24-25H2,1-3H3

InChI Key

BOJHZNOYNZDTSV-UHFFFAOYSA-N

Formula

C28H52O4

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCCC(=O)OCC=C(C)C

Molecular Weight¹

452.71

• 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°	-211.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-1003.42	kJ/mol	Joback Calculated Property
ΔfusH°	72.74	kJ/mol	Joback Calculated Property
ΔvapH°	96.27	kJ/mol	Joback Calculated Property
log10WS	-9.12		Crippen Calculated Property
logPoct/wat	8.471		Crippen Calculated Property
McVol	415.960	ml/mol	McGowan Calculated Property
Pc	708.46	kPa	Joback Calculated Property
Inp	[3191.00; 3191.00]
Inp	3191.00		NIST
Inp	3191.00		NIST
Tboil	996.66	K	Joback Calculated Property
Tc	1232.66	K	Joback Calculated Property
Tfus	530.60	K	Joback Calculated Property
Vc	1.633	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1446.12; 1553.77]	J/mol×K	[996.66; 1232.66]
Cp,gas	1446.12	J/mol×K	996.66	Joback Calculated Property
Cp,gas	1468.17	J/mol×K	1035.99	Joback Calculated Property
Cp,gas	1488.45	J/mol×K	1075.33	Joback Calculated Property
Cp,gas	1507.07	J/mol×K	1114.66	Joback Calculated Property
Cp,gas	1524.10	J/mol×K	1153.99	Joback Calculated Property
Cp,gas	1539.64	J/mol×K	1193.33	Joback Calculated Property
Cp,gas	1553.77	J/mol×K	1232.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-methylbut-2-en-1-yl octadecyl ester.

Sources

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

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