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

InChI

InChI=1S/C18H22O4/c1-15(2)12-14-22-18(20)11-10-17(19)21-13-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-12H,6,9,13-14H2,1-2H3/b11-10+

InChI Key

UTNFDMGXEPZAMD-ZHACJKMWSA-N

Formula

C18H22O4

SMILES

CC(C)=CCOC(=O)C=CC(=O)OCCCc1ccccc1

Molecular Weight¹

302.36

• 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).
• 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°	-102.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-443.27	kJ/mol	Joback Calculated Property
ΔfusH°	41.09	kJ/mol	Joback Calculated Property
ΔvapH°	76.25	kJ/mol	Joback Calculated Property
log10WS	-3.89		Crippen Calculated Property
logPoct/wat	3.228		Crippen Calculated Property
McVol	247.000	ml/mol	McGowan Calculated Property
Pc	1716.03	kPa	Joback Calculated Property
Inp	[2308.00; 2308.00]
Inp	2308.00		NIST
Inp	2308.00		NIST
Tboil	798.70	K	Joback Calculated Property
Tc	1010.88	K	Joback Calculated Property
Tfus	439.24	K	Joback Calculated Property
Vc	0.945	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[710.60; 786.17]	J/mol×K	[798.70; 1010.88]
Cp,gas	710.60	J/mol×K	798.70	Joback Calculated Property
Cp,gas	725.54	J/mol×K	834.06	Joback Calculated Property
Cp,gas	739.48	J/mol×K	869.43	Joback Calculated Property
Cp,gas	752.45	J/mol×K	904.79	Joback Calculated Property
Cp,gas	764.52	J/mol×K	940.15	Joback Calculated Property
Cp,gas	775.74	J/mol×K	975.51	Joback Calculated Property
Cp,gas	786.17	J/mol×K	1010.88	Joback Calculated Property

Similar Compounds

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

Sources

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

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