Chemical Properties of Fumaric acid, 3,5-dimethylphenyl 3-methylbut-2-en-1-yl ester

InChI

InChI=1S/C17H20O4/c1-12(2)7-8-20-16(18)5-6-17(19)21-15-10-13(3)9-14(4)11-15/h5-7,9-11H,8H2,1-4H3/b6-5+

InChI Key

KQAJNWXUHZXHHY-AATRIKPKSA-N

Formula

C17H20O4

SMILES

CC(C)=CCOC(=O)C=CC(=O)Oc1cc(C)cc(C)c1

Molecular Weight¹

288.34

• 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°	-130.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-445.57	kJ/mol	Joback Calculated Property
ΔfusH°	37.72	kJ/mol	Joback Calculated Property
ΔvapH°	75.34	kJ/mol	Joback Calculated Property
log10WS	-4.24		Crippen Calculated Property
logPoct/wat	3.274		Crippen Calculated Property
McVol	232.910	ml/mol	McGowan Calculated Property
Pc	1813.86	kPa	Joback Calculated Property
Inp	[2192.00; 2192.00]
Inp	2192.00		NIST
Inp	2192.00		NIST
Tboil	785.78	K	Joback Calculated Property
Tc	1001.61	K	Joback Calculated Property
Tfus	453.01	K	Joback Calculated Property
Vc	0.888	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[652.71; 725.80]	J/mol×K	[785.78; 1001.61]
Cp,gas	652.71	J/mol×K	785.78	Joback Calculated Property
Cp,gas	667.18	J/mol×K	821.75	Joback Calculated Property
Cp,gas	680.69	J/mol×K	857.72	Joback Calculated Property
Cp,gas	693.27	J/mol×K	893.70	Joback Calculated Property
Cp,gas	704.96	J/mol×K	929.67	Joback Calculated Property
Cp,gas	715.79	J/mol×K	965.64	Joback Calculated Property
Cp,gas	725.80	J/mol×K	1001.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 3,5-dimethylphenyl 3-methylbut-2-en-1-yl ester.

Sources

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

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