Chemical Properties of Fumaric acid, 4-methoxyphenyl 3-methylbut-2-en-1-yl ester

InChI

InChI=1S/C16H18O5/c1-12(2)10-11-20-15(17)8-9-16(18)21-14-6-4-13(19-3)5-7-14/h4-10H,11H2,1-3H3/b9-8+

InChI Key

PTFNZNLIGKKOLQ-CMDGGOBGSA-N

Formula

C16H18O5

SMILES

COc1ccc(OC(=O)C=CC(=O)OCC=C(C)C)cc1

Molecular Weight¹

290.31

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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	0.7690		Relay (1.0) Calculated Property
ΔfG°	-234.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-686.61	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.70	kJ/mol	Joback Calculated Property
ΔvapH°	93.31	kJ/mol	Relay (1.0) Calculated Property
IE	8.22	eV	Relay (1.0) Calculated Property
log10WS	-4.52		Relay (1.0) Calculated Property
logPoct/wat	2.666		Crippen Calculated Property
McVol	224.690	ml/mol	McGowan Calculated Property
Pc	1968.30	kPa	Joback Calculated Property
Inp	[2255.00; 2255.00]
Inp	2255.00		NIST
Inp	2255.00		NIST
Tboil	615.32	K	Relay (1.0) Calculated Property
Tc	814.46	K	Relay (1.0) Calculated Property
Tfus	334.54	K	Relay (1.0) Calculated Property
Vc	0.788	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[625.54; 694.41]	J/mol×K	[780.34; 996.25]
Cp,gas	625.54	J/mol×K	780.34	Joback Calculated Property
Cp,gas	639.39	J/mol×K	816.32	Joback Calculated Property
Cp,gas	652.26	J/mol×K	852.31	Joback Calculated Property
Cp,gas	664.17	J/mol×K	888.29	Joback Calculated Property
Cp,gas	675.15	J/mol×K	924.28	Joback Calculated Property
Cp,gas	685.22	J/mol×K	960.26	Joback Calculated Property
Cp,gas	694.41	J/mol×K	996.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 4-methoxyphenyl 3-methylbut-2-en-1-yl ester.

Sources

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

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