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

InChI

InChI=1S/C21H36O4/c1-4-5-6-7-8-9-10-11-12-13-17-24-20(22)14-15-21(23)25-18-16-19(2)3/h14-15H,2,4-13,16-18H2,1,3H3/b15-14+

InChI Key

DTCZUGWZQZXGMM-CCEZHUSRSA-N

Formula

C21H36O4

SMILES

C=C(C)CCOC(=O)C=CC(=O)OCCCCCCCCCCCC

Molecular Weight¹

352.51

• 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	1.0119		Relay (... Calculated Property
ΔfG°	-182.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-906.71	kJ/mol	Relay (... Calculated Property
ΔfusH°	53.33	kJ/mol	Joback Calculated Property
ΔvapH°	104.34	kJ/mol	Relay (... Calculated Property
IE	9.60	eV	Relay (... Calculated Property
log10WS	-6.25		Relay (... Calculated Property
logPoct/wat	5.516		Crippen Calculated Property
McVol	313.030	ml/mol	McGowan Calculated Property
Pc	1079.93	kPa	Joback Calculated Property
Inp	[2465.00; 2465.00]
Inp	2465.00		NIST
Inp	2465.00		NIST
Tboil	629.93	K	Relay (... Calculated Property
Tc	791.03	K	Relay (... Calculated Property
Tfus	283.82	K	Relay (... Calculated Property
Vc	1.162	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[976.61; 1067.76]	J/mol×K	[833.18; 1023.20]
Cp,gas	976.61	J/mol×K	833.18	Joback Calculated Property
Cp,gas	994.23	J/mol×K	864.85	Joback Calculated Property
Cp,gas	1010.84	J/mol×K	896.52	Joback Calculated Property
Cp,gas	1026.46	J/mol×K	928.19	Joback Calculated Property
Cp,gas	1041.13	J/mol×K	959.86	Joback Calculated Property
Cp,gas	1054.89	J/mol×K	991.53	Joback Calculated Property
Cp,gas	1067.76	J/mol×K	1023.20	Joback Calculated Property

Similar Compounds

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

Sources

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

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