Chemical Properties of Fumaric acid, 3-methylbut-3-enyl octyl ester

InChI

InChI=1S/C17H28O4/c1-4-5-6-7-8-9-13-20-16(18)10-11-17(19)21-14-12-15(2)3/h10-11H,2,4-9,12-14H2,1,3H3/b11-10+

InChI Key

CVVXSSZKVDHVKN-ZHACJKMWSA-N

Formula

C17H28O4

SMILES

C=C(C)CCOC(=O)C=CC(=O)OCCCCCCCC

Molecular Weight¹

296.40

• 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°	-216.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-650.95	kJ/mol	Joback Calculated Property
ΔfusH°	42.97	kJ/mol	Joback Calculated Property
ΔvapH°	71.12	kJ/mol	Joback Calculated Property
log10WS	-4.37		Crippen Calculated Property
logPoct/wat	3.956		Crippen Calculated Property
McVol	256.670	ml/mol	McGowan Calculated Property
Pc	1414.37	kPa	Joback Calculated Property
Inp	[2065.00; 2065.00]
Inp	2065.00		NIST
Inp	2065.00		NIST
Tboil	741.66	K	Joback Calculated Property
Tc	925.94	K	Joback Calculated Property
Tfus	404.87	K	Joback Calculated Property
Vc	0.998	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[741.73; 825.93]	J/mol×K	[741.66; 925.94]
Cp,gas	741.73	J/mol×K	741.66	Joback Calculated Property
Cp,gas	757.81	J/mol×K	772.37	Joback Calculated Property
Cp,gas	773.04	J/mol×K	803.09	Joback Calculated Property
Cp,gas	787.44	J/mol×K	833.80	Joback Calculated Property
Cp,gas	801.05	J/mol×K	864.51	Joback Calculated Property
Cp,gas	813.87	J/mol×K	895.23	Joback Calculated Property
Cp,gas	825.93	J/mol×K	925.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 3-methylbut-3-enyl octyl ester.

Sources

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

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