Chemical Properties of Glutaric acid, 3-methylbut-3-enyl 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/h2,4-25H2,1,3H3

InChI Key

HHJYYGGXHHAWCC-UHFFFAOYSA-N

Formula

C28H52O4

SMILES

C=C(C)CCOC(=O)CCCC(=O)OCCCCCCCCCCCCCCCCCC

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°	-203.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-995.21	kJ/mol	Joback Calculated Property
ΔfusH°	71.26	kJ/mol	Joback Calculated Property
ΔvapH°	95.64	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	704.71	kPa	Joback Calculated Property
Inp	[3220.00; 3220.00]
Inp	3220.00		NIST
Inp	3220.00		NIST
Tboil	989.18	K	Joback Calculated Property
Tc	1224.31	K	Joback Calculated Property
Tfus	533.92	K	Joback Calculated Property
Vc	1.633	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1443.87; 1549.31]	J/mol×K	[989.18; 1224.31]
Cp,gas	1443.87	J/mol×K	989.18	Joback Calculated Property
Cp,gas	1465.85	J/mol×K	1028.37	Joback Calculated Property
Cp,gas	1485.96	J/mol×K	1067.56	Joback Calculated Property
Cp,gas	1504.28	J/mol×K	1106.74	Joback Calculated Property
Cp,gas	1520.89	J/mol×K	1145.93	Joback Calculated Property
Cp,gas	1535.88	J/mol×K	1185.12	Joback Calculated Property
Cp,gas	1549.31	J/mol×K	1224.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-methylbut-3-enyl octadecyl ester.

Sources

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

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