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

InChI

InChI=1S/C19H32O4/c1-4-5-6-7-8-9-10-11-15-22-18(20)12-13-19(21)23-16-14-17(2)3/h12-13H,2,4-11,14-16H2,1,3H3/b13-12+

InChI Key

MIIUAARNMOECIY-OUKQBFOZSA-N

Formula

C19H32O4

SMILES

C=C(C)CCOC(=O)C=CC(=O)OCCCCCCCCCC

Molecular Weight¹

324.45

• 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°	-199.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-692.23	kJ/mol	Joback Calculated Property
ΔfusH°	48.15	kJ/mol	Joback Calculated Property
ΔvapH°	75.57	kJ/mol	Joback Calculated Property
log10WS	-5.21		Crippen Calculated Property
logPoct/wat	4.736		Crippen Calculated Property
McVol	284.850	ml/mol	McGowan Calculated Property
Pc	1230.28	kPa	Joback Calculated Property
Inp	[2261.00; 2261.00]
Inp	2261.00		NIST
Inp	2261.00		NIST
Tboil	787.42	K	Joback Calculated Property
Tc	973.25	K	Joback Calculated Property
Tfus	427.41	K	Joback Calculated Property
Vc	1.109	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[857.33; 945.07]	J/mol×K	[787.42; 973.25]
Cp,gas	857.33	J/mol×K	787.42	Joback Calculated Property
Cp,gas	874.17	J/mol×K	818.39	Joback Calculated Property
Cp,gas	890.09	J/mol×K	849.36	Joback Calculated Property
Cp,gas	905.11	J/mol×K	880.34	Joback Calculated Property
Cp,gas	919.27	J/mol×K	911.31	Joback Calculated Property
Cp,gas	932.58	J/mol×K	942.28	Joback Calculated Property
Cp,gas	945.07	J/mol×K	973.25	Joback Calculated Property

Similar Compounds

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

Sources

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

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