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

InChI

InChI=1S/C25H44O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-28-24(26)18-19-25(27)29-22-20-23(2)3/h18-19H,2,4-17,20-22H2,1,3H3/b19-18+

InChI Key

GQHTXJIFMBTDTO-VHEBQXMUSA-N

Formula

C25H44O4

SMILES

C=C(C)CCOC(=O)C=CC(=O)OCCCCCCCCCCCCCCCC

Molecular Weight¹

408.61

• 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°	-148.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-816.07	kJ/mol	Joback Calculated Property
ΔfusH°	63.69	kJ/mol	Joback Calculated Property
ΔvapH°	88.92	kJ/mol	Joback Calculated Property
log10WS	-7.72		Crippen Calculated Property
logPoct/wat	7.076		Crippen Calculated Property
McVol	369.390	ml/mol	McGowan Calculated Property
Pc	851.47	kPa	Joback Calculated Property
Inp	[2855.00; 2855.00]
Inp	2855.00		NIST
Inp	2855.00		NIST
Tboil	924.70	K	Joback Calculated Property
Tc	1132.99	K	Joback Calculated Property
Tfus	495.03	K	Joback Calculated Property
Vc	1.446	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1224.11; 1322.83]	J/mol×K	[924.70; 1132.99]
Cp,gas	1224.11	J/mol×K	924.70	Joback Calculated Property
Cp,gas	1243.61	J/mol×K	959.41	Joback Calculated Property
Cp,gas	1261.82	J/mol×K	994.13	Joback Calculated Property
Cp,gas	1278.79	J/mol×K	1028.84	Joback Calculated Property
Cp,gas	1294.58	J/mol×K	1063.56	Joback Calculated Property
Cp,gas	1309.24	J/mol×K	1098.27	Joback Calculated Property
Cp,gas	1322.83	J/mol×K	1132.99	Joback Calculated Property

Similar Compounds

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

Sources

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

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