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

InChI

InChI=1S/C26H46O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-29-25(27)19-20-26(28)30-23-21-24(2)3/h19-20H,2,4-18,21-23H2,1,3H3/b20-19+

InChI Key

KGPKEFQQQCDGBN-FMQUCBEESA-N

Formula

C26H46O4

SMILES

C=C(C)CCOC(=O)C=CC(=O)OCCCCCCCCCCCCCCCCC

Molecular Weight¹

422.64

• 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	1.1875		Relay (1.0) Calculated Property
ΔfG°	-140.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-1010.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	66.28	kJ/mol	Joback Calculated Property
ΔvapH°	124.10	kJ/mol	Relay (1.0) Calculated Property
IE	9.73	eV	Relay (1.0) Calculated Property
log10WS	-7.79		Relay (1.0) Calculated Property
logPoct/wat	7.467		Crippen Calculated Property
McVol	383.480	ml/mol	McGowan Calculated Property
Pc	805.70	kPa	Joback Calculated Property
Inp	[2961.00; 2961.00]
Inp	2961.00		NIST
Inp	2961.00		NIST
Tboil	664.22	K	Relay (1.0) Calculated Property
Tc	829.67	K	Relay (1.0) Calculated Property
Tfus	300.23	K	Relay (1.0) Calculated Property
Vc	1.437	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1287.50; 1388.44]	J/mol×K	[947.58; 1162.90]
Cp,gas	1287.50	J/mol×K	947.58	Joback Calculated Property
Cp,gas	1307.59	J/mol×K	983.47	Joback Calculated Property
Cp,gas	1326.28	J/mol×K	1019.35	Joback Calculated Property
Cp,gas	1343.65	J/mol×K	1055.24	Joback Calculated Property
Cp,gas	1359.75	J/mol×K	1091.13	Joback Calculated Property
Cp,gas	1374.66	J/mol×K	1127.01	Joback Calculated Property
Cp,gas	1388.44	J/mol×K	1162.90	Joback Calculated Property

Similar Compounds

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

Sources

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

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