Chemical Properties of Fumaric acid, 3-methylbut-3-enyl octadecyl ester

InChI

InChI=1S/C27H48O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-30-26(28)20-21-27(29)31-24-22-25(2)3/h20-21H,2,4-19,22-24H2,1,3H3/b21-20+

InChI Key

TWVYSRGLLCUDGH-QZQOTICOSA-N

Formula

C27H48O4

SMILES

C=C(C)CCOC(=O)C=CC(=O)OCCCCCCCCCCCCCCCCCC

Molecular Weight¹

436.67

• ω : Acentric Factor.
• 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).
• 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).
• 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
ω	1.2225		Relay (1.0) Calculated Property
ΔfG°	-131.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-1031.04	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	68.87	kJ/mol	Joback Calculated Property
ΔvapH°	128.04	kJ/mol	Relay (1.0) Calculated Property
IE	9.77	eV	Relay (1.0) Calculated Property
log10WS	-8.09		Relay (1.0) Calculated Property
logPoct/wat	7.857		Crippen Calculated Property
McVol	397.570	ml/mol	McGowan Calculated Property
Pc	763.52	kPa	Joback Calculated Property
Inp	[3070.00; 3070.00]
Inp	3070.00		NIST
Inp	3070.00		NIST
Tboil	670.81	K	Relay (1.0) Calculated Property
Tc	836.21	K	Relay (1.0) Calculated Property
Tfus	302.60	K	Relay (1.0) Calculated Property
Vc	1.491	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1351.40; 1454.73]	J/mol×K	[970.46; 1193.95]
Cp,gas	1351.40	J/mol×K	970.46	Joback Calculated Property
Cp,gas	1372.12	J/mol×K	1007.71	Joback Calculated Property
Cp,gas	1391.34	J/mol×K	1044.96	Joback Calculated Property
Cp,gas	1409.13	J/mol×K	1082.21	Joback Calculated Property
Cp,gas	1425.58	J/mol×K	1119.46	Joback Calculated Property
Cp,gas	1440.75	J/mol×K	1156.70	Joback Calculated Property
Cp,gas	1454.73	J/mol×K	1193.95	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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