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

InChI

InChI=1S/C17H30O4/c1-6-7-8-9-12-20-15(18)10-11-16(19)21-17(13(2)3)14(4)5/h10-11,13-14,17H,6-9,12H2,1-5H3/b11-10+

InChI Key

WDPSXHOYSAAWSY-ZHACJKMWSA-N

Formula

C17H30O4

SMILES

CCCCCCOC(=O)C=CC(=O)OC(C(C)C)C(C)C

Molecular Weight¹

298.42

• 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).
• 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°	-302.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-782.43	kJ/mol	Joback Calculated Property
ΔfusH°	34.99	kJ/mol	Joback Calculated Property
ΔvapH°	70.54	kJ/mol	Joback Calculated Property
log10WS	-4.15		Crippen Calculated Property
logPoct/wat	3.890		Crippen Calculated Property
McVol	260.970	ml/mol	McGowan Calculated Property
Pc	1390.22	kPa	Joback Calculated Property
Inp	[1923.00; 1923.00]
Inp	1923.00		NIST
Inp	1923.00		NIST
Tboil	743.78	K	Joback Calculated Property
Tc	930.72	K	Joback Calculated Property
Tfus	375.59	K	Joback Calculated Property
Vc	0.998	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[768.78; 857.44]	J/mol×K	[743.78; 930.72]
Cp,gas	768.78	J/mol×K	743.78	Joback Calculated Property
Cp,gas	785.82	J/mol×K	774.94	Joback Calculated Property
Cp,gas	801.94	J/mol×K	806.09	Joback Calculated Property
Cp,gas	817.13	J/mol×K	837.25	Joback Calculated Property
Cp,gas	831.44	J/mol×K	868.41	Joback Calculated Property
Cp,gas	844.87	J/mol×K	899.56	Joback Calculated Property
Cp,gas	857.44	J/mol×K	930.72	Joback Calculated Property
η	[0.0000550; 0.0020291]	Pa×s	[375.59; 743.78]
η	0.0020291	Pa×s	375.59	Joback Calculated Property
η	0.0007291	Pa×s	436.96	Joback Calculated Property
η	0.0003371	Pa×s	498.32	Joback Calculated Property
η	0.0001846	Pa×s	559.68	Joback Calculated Property
η	0.0001138	Pa×s	621.05	Joback Calculated Property
η	0.0000766	Pa×s	682.41	Joback Calculated Property
η	0.0000550	Pa×s	743.78	Joback Calculated Property

Similar Compounds

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

Sources

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

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