Chemical Properties of Fumaric acid, 2,6-dimethoxyphenyl 2-methylpent-3-yl ester

InChI

InChI=1S/C18H24O6/c1-6-13(12(2)3)23-16(19)10-11-17(20)24-18-14(21-4)8-7-9-15(18)22-5/h7-13H,6H2,1-5H3/b11-10+

InChI Key

ZSTQLCUKIWOSAL-ZHACJKMWSA-N

Formula

C18H24O6

SMILES

CCC(OC(=O)C=CC(=O)Oc1c(OC)cccc1OC)C(C)C

Molecular Weight¹

336.38

• 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	0.8817		Relay (1.0) Calculated Property
ΔfG°	-408.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-945.72	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.74	kJ/mol	Joback Calculated Property
ΔvapH°	95.18	kJ/mol	Relay (1.0) Calculated Property
IE	8.37	eV	Relay (1.0) Calculated Property
log10WS	-4.00		Relay (1.0) Calculated Property
logPoct/wat	3.143		Crippen Calculated Property
McVol	263.040	ml/mol	McGowan Calculated Property
Pc	1575.95	kPa	Joback Calculated Property
Inp	[2342.00; 2342.00]
Inp	2342.00		NIST
Inp	2342.00		NIST
Tboil	626.15	K	Relay (1.0) Calculated Property
Tc	827.61	K	Relay (1.0) Calculated Property
Tfus	351.13	K	Relay (1.0) Calculated Property
Vc	0.926	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[792.15; 860.61]	J/mol×K	[848.58; 1058.77]
Cp,gas	792.15	J/mol×K	848.58	Joback Calculated Property
Cp,gas	806.60	J/mol×K	883.61	Joback Calculated Property
Cp,gas	819.84	J/mol×K	918.64	Joback Calculated Property
Cp,gas	831.86	J/mol×K	953.67	Joback Calculated Property
Cp,gas	842.67	J/mol×K	988.70	Joback Calculated Property
Cp,gas	852.25	J/mol×K	1023.74	Joback Calculated Property
Cp,gas	860.61	J/mol×K	1058.77	Joback Calculated Property
η	[0.0000303; 0.0003571]	Pa×s	[497.78; 848.58]
η	0.0003571	Pa×s	497.78	Joback Calculated Property
η	0.0001908	Pa×s	556.25	Joback Calculated Property
η	0.0001148	Pa×s	614.71	Joback Calculated Property
η	0.0000755	Pa×s	673.18	Joback Calculated Property
η	0.0000531	Pa×s	731.65	Joback Calculated Property
η	0.0000393	Pa×s	790.11	Joback Calculated Property
η	0.0000303	Pa×s	848.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,6-dimethoxyphenyl 2-methylpent-3-yl ester.

Sources

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

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