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

InChI

InChI=1S/C18H30O4/c1-4-5-6-7-8-9-10-14-21-17(19)11-12-18(20)22-15-13-16(2)3/h11-12H,2,4-10,13-15H2,1,3H3/b12-11+

InChI Key

NZJAEXAOWGIVNB-VAWYXSNFSA-N

Formula

C18H30O4

SMILES

C=C(C)CCOC(=O)C=CC(=O)OCCCCCCCCC

Molecular Weight¹

310.43

• 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°	-207.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-671.59	kJ/mol	Joback Calculated Property
ΔfusH°	45.56	kJ/mol	Joback Calculated Property
ΔvapH°	73.34	kJ/mol	Joback Calculated Property
log10WS	-4.79		Crippen Calculated Property
logPoct/wat	4.346		Crippen Calculated Property
McVol	270.760	ml/mol	McGowan Calculated Property
Pc	1317.52	kPa	Joback Calculated Property
Inp	[2160.00; 2160.00]
Inp	2160.00		NIST
Inp	2160.00		NIST
Tboil	764.54	K	Joback Calculated Property
Tc	949.29	K	Joback Calculated Property
Tfus	416.14	K	Joback Calculated Property
Vc	1.054	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[799.03; 885.05]	J/mol×K	[764.54; 949.29]
Cp,gas	799.03	J/mol×K	764.54	Joback Calculated Property
Cp,gas	815.50	J/mol×K	795.33	Joback Calculated Property
Cp,gas	831.08	J/mol×K	826.12	Joback Calculated Property
Cp,gas	845.80	J/mol×K	856.92	Joback Calculated Property
Cp,gas	859.68	J/mol×K	887.71	Joback Calculated Property
Cp,gas	872.76	J/mol×K	918.50	Joback Calculated Property
Cp,gas	885.05	J/mol×K	949.29	Joback Calculated Property

Similar Compounds

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

Sources

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

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