Chemical Properties of Fumaric acid, 2,4-dimethylpent-3-yl hexadecyl ester

InChI

InChI=1S/C27H50O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-30-25(28)20-21-26(29)31-27(23(2)3)24(4)5/h20-21,23-24,27H,6-19,22H2,1-5H3/b21-20+

InChI Key

XWMIVKGQPOVIOP-QZQOTICOSA-N

Formula

C27H50O4

SMILES

CCCCCCCCCCCCCCCCOC(=O)C=CC(=O)OC(C(C)C)C(C)C

Molecular Weight¹

438.68

• 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	1.1697		Relay (... Calculated Property
ΔfG°	-218.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-1121.20	kJ/mol	Relay (... Calculated Property
ΔfusH°	60.89	kJ/mol	Joback Calculated Property
ΔvapH°	120.13	kJ/mol	Relay (... Calculated Property
IE	9.98	eV	Relay (... Calculated Property
log10WS	-7.99		Relay (... Calculated Property
logPoct/wat	7.791		Crippen Calculated Property
McVol	401.870	ml/mol	McGowan Calculated Property
Pc	753.91	kPa	Joback Calculated Property
Inp	[2936.00; 2936.00]
Inp	2936.00		NIST
Inp	2936.00		NIST
Tboil	650.33	K	Relay (... Calculated Property
Tc	828.15	K	Relay (... Calculated Property
Tfus	295.66	K	Relay (... Calculated Property
Vc	1.486	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1382.79; 1485.05]	J/mol×K	[972.58; 1195.32]
Cp,gas	1382.79	J/mol×K	972.58	Joback Calculated Property
Cp,gas	1403.65	J/mol×K	1009.70	Joback Calculated Property
Cp,gas	1422.88	J/mol×K	1046.83	Joback Calculated Property
Cp,gas	1440.57	J/mol×K	1083.95	Joback Calculated Property
Cp,gas	1456.78	J/mol×K	1121.07	Joback Calculated Property
Cp,gas	1471.58	J/mol×K	1158.19	Joback Calculated Property
Cp,gas	1485.05	J/mol×K	1195.32	Joback Calculated Property
η	[0.0000122; 0.0005216]	Pa×s	[488.29; 972.58]
η	0.0005216	Pa×s	488.29	Joback Calculated Property
η	0.0001791	Pa×s	569.00	Joback Calculated Property
η	0.0000802	Pa×s	649.72	Joback Calculated Property
η	0.0000429	Pa×s	730.43	Joback Calculated Property
η	0.0000260	Pa×s	811.15	Joback Calculated Property
η	0.0000172	Pa×s	891.87	Joback Calculated Property
η	0.0000122	Pa×s	972.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,4-dimethylpent-3-yl hexadecyl ester.

Sources

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

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