Chemical Properties of Fumaric acid, di(3-methylbut-3-enyl) ester

InChI

InChI=1S/C14H20O4/c1-11(2)7-9-17-13(15)5-6-14(16)18-10-8-12(3)4/h5-6H,1,3,7-10H2,2,4H3/b6-5+

InChI Key

CEBGQTGJJSUMKF-AATRIKPKSA-N

Formula

C14H20O4

SMILES

C=C(C)CCOC(=O)C=CC(=O)OCCC(=C)C

Molecular Weight¹

252.31

• 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°	-162.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-473.39	kJ/mol	Joback Calculated Property
ΔfusH°	32.61	kJ/mol	Joback Calculated Property
ΔvapH°	63.85	kJ/mol	Joback Calculated Property
log10WS	-2.97		Crippen Calculated Property
logPoct/wat	2.561		Crippen Calculated Property
McVol	210.100	ml/mol	McGowan Calculated Property
Pc	1851.52	kPa	Joback Calculated Property
Inp	[1753.00; 1753.00]
Inp	1753.00		NIST
Inp	1753.00		NIST
Tboil	669.58	K	Joback Calculated Property
Tc	860.78	K	Joback Calculated Property
Tfus	355.34	K	Joback Calculated Property
Vc	0.811	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[553.22; 628.58]	J/mol×K	[669.58; 860.78]
Cp,gas	553.22	J/mol×K	669.58	Joback Calculated Property
Cp,gas	567.60	J/mol×K	701.45	Joback Calculated Property
Cp,gas	581.23	J/mol×K	733.31	Joback Calculated Property
Cp,gas	594.12	J/mol×K	765.18	Joback Calculated Property
Cp,gas	606.29	J/mol×K	797.04	Joback Calculated Property
Cp,gas	617.77	J/mol×K	828.91	Joback Calculated Property
Cp,gas	628.58	J/mol×K	860.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, di(3-methylbut-3-enyl) ester.

Sources

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

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