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

InChI

InChI=1S/C28H50O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-31-27(29)21-22-28(30)32-25-23-26(2)3/h21-22H,2,4-20,23-25H2,1,3H3/b22-21+

InChI Key

SEYOCWWGFFRITO-QURGRASLSA-N

Formula

C28H50O4

SMILES

C=C(C)CCOC(=O)C=CC(=O)OCCCCCCCCCCCCCCCCCCC

Molecular Weight¹

450.69

• 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°	-123.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-877.99	kJ/mol	Joback Calculated Property
ΔfusH°	71.46	kJ/mol	Joback Calculated Property
ΔvapH°	95.60	kJ/mol	Joback Calculated Property
log10WS	-8.98		Crippen Calculated Property
logPoct/wat	8.247		Crippen Calculated Property
McVol	411.660	ml/mol	McGowan Calculated Property
Pc	724.57	kPa	Joback Calculated Property
Inp	[3169.00; 3169.00]
Inp	3169.00		NIST
Inp	3169.00		NIST
Tboil	993.34	K	Joback Calculated Property
Tc	1226.25	K	Joback Calculated Property
Tfus	528.84	K	Joback Calculated Property
Vc	1.613	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1415.75; 1521.67]	J/mol×K	[993.34; 1226.25]
Cp,gas	1415.75	J/mol×K	993.34	Joback Calculated Property
Cp,gas	1437.18	J/mol×K	1032.16	Joback Calculated Property
Cp,gas	1456.97	J/mol×K	1070.98	Joback Calculated Property
Cp,gas	1475.22	J/mol×K	1109.79	Joback Calculated Property
Cp,gas	1492.03	J/mol×K	1148.61	Joback Calculated Property
Cp,gas	1507.48	J/mol×K	1187.43	Joback Calculated Property
Cp,gas	1521.67	J/mol×K	1226.25	Joback Calculated Property

Similar Compounds

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

Sources

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

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