Chemical Properties of Fumaric acid, hexadecyl pent-4-enyl ester

InChI

InChI=1S/C25H44O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-23-29-25(27)21-20-24(26)28-22-18-6-4-2/h4,20-21H,2-3,5-19,22-23H2,1H3/b21-20+

InChI Key

VLNKWXUIAJGQCF-QZQOTICOSA-N

Formula

C25H44O4

SMILES

C=CCCCOC(=O)C=CC(=O)OCCCCCCCCCCCCCCCC

Molecular Weight¹

408.61

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	1.1623		Relay (1.0) Calculated Property
ΔfG°	-293.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-985.25	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	68.17	kJ/mol	Joback Calculated Property
ΔvapH°	122.59	kJ/mol	Relay (1.0) Calculated Property
IE	9.90	eV	Relay (1.0) Calculated Property
log10WS	-7.49		Relay (1.0) Calculated Property
logPoct/wat	7.076		Crippen Calculated Property
McVol	369.390	ml/mol	McGowan Calculated Property
Pc	809.83	kPa	Joback Calculated Property
Inp	[2870.00; 2870.00]
Inp	2870.00		NIST
Inp	2870.00		NIST
Tboil	668.67	K	Relay (1.0) Calculated Property
Tc	829.93	K	Relay (1.0) Calculated Property
Tfus	292.52	K	Relay (1.0) Calculated Property
Vc	1.381	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1206.69; 1304.02]	J/mol×K	[888.88; 1088.67]
Cp,gas	1206.69	J/mol×K	888.88	Joback Calculated Property
Cp,gas	1226.06	J/mol×K	922.18	Joback Calculated Property
Cp,gas	1244.09	J/mol×K	955.48	Joback Calculated Property
Cp,gas	1260.86	J/mol×K	988.78	Joback Calculated Property
Cp,gas	1276.40	J/mol×K	1022.07	Joback Calculated Property
Cp,gas	1290.77	J/mol×K	1055.37	Joback Calculated Property
Cp,gas	1304.02	J/mol×K	1088.67	Joback Calculated Property
η	[0.0000182; 0.0007313]	Pa×s	[449.33; 888.88]
η	0.0007313	Pa×s	449.33	Joback Calculated Property
η	0.0002568	Pa×s	522.59	Joback Calculated Property
η	0.0001166	Pa×s	595.85	Joback Calculated Property
η	0.0000630	Pa×s	669.10	Joback Calculated Property
η	0.0000384	Pa×s	742.36	Joback Calculated Property
η	0.0000256	Pa×s	815.62	Joback Calculated Property
η	0.0000182	Pa×s	888.88	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, hexadecyl pent-4-enyl ester.

Sources

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

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