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

InChI

InChI=1S/C29H52O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-32-28(30)22-23-29(31)33-26-24-27(2)3/h22-23H,2,4-21,24-26H2,1,3H3/b23-22+

InChI Key

QDXQGVXPSLCVJV-GHVJWSGMSA-N

Formula

C29H52O4

SMILES

C=C(C)CCOC(=O)C=CC(=O)OCCCCCCCCCCCCCCCCCCCC

Molecular Weight¹

464.72

• 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	1.2926		Relay (1.0) Calculated Property
ΔfG°	-115.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-1072.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	74.05	kJ/mol	Joback Calculated Property
ΔvapH°	135.88	kJ/mol	Relay (1.0) Calculated Property
IE	9.83	eV	Relay (1.0) Calculated Property
log10WS	-8.69		Relay (1.0) Calculated Property
logPoct/wat	8.637		Crippen Calculated Property
McVol	425.750	ml/mol	McGowan Calculated Property
Pc	688.53	kPa	Joback Calculated Property
Inp	[3277.00; 3277.00]
Inp	3277.00		NIST
Inp	3277.00		NIST
Tboil	683.83	K	Relay (1.0) Calculated Property
Tc	848.68	K	Relay (1.0) Calculated Property
Tfus	307.04	K	Relay (1.0) Calculated Property
Vc	1.601	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1480.53; 1589.23]	J/mol×K	[1016.22; 1259.87]
Cp,gas	1480.53	J/mol×K	1016.22	Joback Calculated Property
Cp,gas	1502.72	J/mol×K	1056.83	Joback Calculated Property
Cp,gas	1523.13	J/mol×K	1097.44	Joback Calculated Property
Cp,gas	1541.88	J/mol×K	1138.05	Joback Calculated Property
Cp,gas	1559.08	J/mol×K	1178.66	Joback Calculated Property
Cp,gas	1574.82	J/mol×K	1219.26	Joback Calculated Property
Cp,gas	1589.23	J/mol×K	1259.87	Joback Calculated Property

Similar Compounds

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

Sources

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

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