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

• 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°	-115.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-898.63	kJ/mol	Joback Calculated Property
ΔfusH°	74.05	kJ/mol	Joback Calculated Property
ΔvapH°	97.83	kJ/mol	Joback Calculated Property
log10WS	-9.39		Crippen 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	1016.22	K	Joback Calculated Property
Tc	1259.87	K	Joback Calculated Property
Tfus	540.11	K	Joback Calculated Property
Vc	1.669	m3/kmol	Joback 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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.