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

InChI

InChI=1S/C22H38O4/c1-4-5-6-7-8-9-10-11-12-13-14-18-25-21(23)15-16-22(24)26-19-17-20(2)3/h15-16H,2,4-14,17-19H2,1,3H3/b16-15+

InChI Key

CHDVQAZTHZAICP-FOCLMDBBSA-N

Formula

C22H38O4

SMILES

C=C(C)CCOC(=O)C=CC(=O)OCCCCCCCCCCCCC

Molecular Weight¹

366.53

• 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°	-173.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-754.15	kJ/mol	Joback Calculated Property
ΔfusH°	55.92	kJ/mol	Joback Calculated Property
ΔvapH°	82.25	kJ/mol	Joback Calculated Property
log10WS	-6.46		Crippen Calculated Property
logPoct/wat	5.906		Crippen Calculated Property
McVol	327.120	ml/mol	McGowan Calculated Property
Pc	1014.89	kPa	Joback Calculated Property
Inp	[2571.00; 2571.00]
Inp	2571.00		NIST
Inp	2571.00		NIST
Tboil	856.06	K	Joback Calculated Property
Tc	1049.32	K	Joback Calculated Property
Tfus	461.22	K	Joback Calculated Property
Vc	1.278	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1037.46; 1130.36]	J/mol×K	[856.06; 1049.32]
Cp,gas	1037.46	J/mol×K	856.06	Joback Calculated Property
Cp,gas	1055.50	J/mol×K	888.27	Joback Calculated Property
Cp,gas	1072.47	J/mol×K	920.48	Joback Calculated Property
Cp,gas	1088.40	J/mol×K	952.69	Joback Calculated Property
Cp,gas	1103.33	J/mol×K	984.90	Joback Calculated Property
Cp,gas	1117.31	J/mol×K	1017.11	Joback Calculated Property
Cp,gas	1130.36	J/mol×K	1049.32	Joback Calculated Property

Similar Compounds

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

Sources

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

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