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

InChI

InChI=1S/C17H30O4/c1-12(2)8-7-11-20-15(18)9-10-16(19)21-17(13(3)4)14(5)6/h9-10,12-14,17H,7-8,11H2,1-6H3/b10-9+

InChI Key

NWCXINUHLFDREU-MDZDMXLPSA-N

Formula

C17H30O4

SMILES

CC(C)CCCOC(=O)C=CC(=O)OC(C(C)C)C(C)C

Molecular Weight¹

298.42

• 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	0.7751		Relay (1.0) Calculated Property
ΔfG°	-305.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-946.85	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.47	kJ/mol	Joback Calculated Property
ΔvapH°	79.61	kJ/mol	Relay (1.0) Calculated Property
IE	9.86	eV	Relay (1.0) Calculated Property
log10WS	-4.86		Relay (1.0) Calculated Property
logPoct/wat	3.746		Crippen Calculated Property
McVol	260.970	ml/mol	McGowan Calculated Property
Pc	1398.55	kPa	Joback Calculated Property
Inp	[1875.00; 1875.00]
Inp	1875.00		NIST
Inp	1875.00		NIST
Tboil	572.61	K	Relay (1.0) Calculated Property
Tc	735.80	K	Relay (1.0) Calculated Property
Tfus	263.41	K	Relay (1.0) Calculated Property
Vc	0.929	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[769.28; 858.79]	J/mol×K	[743.34; 932.50]
Cp,gas	769.28	J/mol×K	743.34	Joback Calculated Property
Cp,gas	786.54	J/mol×K	774.87	Joback Calculated Property
Cp,gas	802.83	J/mol×K	806.39	Joback Calculated Property
Cp,gas	818.19	J/mol×K	837.92	Joback Calculated Property
Cp,gas	832.62	J/mol×K	869.44	Joback Calculated Property
Cp,gas	846.14	J/mol×K	900.97	Joback Calculated Property
Cp,gas	858.79	J/mol×K	932.50	Joback Calculated Property
η	[0.0000507; 0.0026689]	Pa×s	[360.59; 743.34]
η	0.0026689	Pa×s	360.59	Joback Calculated Property
η	0.0008393	Pa×s	424.38	Joback Calculated Property
η	0.0003571	Pa×s	488.17	Joback Calculated Property
η	0.0001851	Pa×s	551.96	Joback Calculated Property
η	0.0001100	Pa×s	615.76	Joback Calculated Property
η	0.0000720	Pa×s	679.55	Joback Calculated Property
η	0.0000507	Pa×s	743.34	Joback Calculated Property

Similar Compounds

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

Sources

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

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