Chemical Properties of Fumaric acid, di(2,4,4-trimethylpentyl) ester

InChI

InChI=1S/C20H36O4/c1-15(11-19(3,4)5)13-23-17(21)9-10-18(22)24-14-16(2)12-20(6,7)8/h9-10,15-16H,11-14H2,1-8H3/b10-9+

InChI Key

HFAKSYSFJUXFQY-MDZDMXLPSA-N

Formula

C20H36O4

SMILES

CC(COC(=O)C=CC(=O)OCC(C)CC(C)(C)C)CC(C)(C)C

Molecular Weight¹

340.50

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	0.8144		Relay (... Calculated Property
ΔfG°	-269.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-1051.32	kJ/mol	Relay (... Calculated Property
ΔfusH°	31.46	kJ/mol	Joback Calculated Property
ΔvapH°	85.46	kJ/mol	Relay (... Calculated Property
IE	9.62	eV	Relay (... Calculated Property
log10WS	-6.10		Relay (... Calculated Property
logPoct/wat	4.774		Crippen Calculated Property
McVol	303.240	ml/mol	McGowan Calculated Property
Pc	1156.93	kPa	Joback Calculated Property
Inp	[2087.00; 2087.00]
Inp	2087.00		NIST
Inp	2087.00		NIST
Tboil	598.41	K	Relay (... Calculated Property
Tc	756.03	K	Relay (... Calculated Property
Tfus	328.12	K	Relay (... Calculated Property
Vc	1.107	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[947.01; 1040.72]	J/mol×K	[806.40; 1002.80]
Cp,gas	947.01	J/mol×K	806.40	Joback Calculated Property
Cp,gas	965.16	J/mol×K	839.13	Joback Calculated Property
Cp,gas	982.21	J/mol×K	871.87	Joback Calculated Property
Cp,gas	998.24	J/mol×K	904.60	Joback Calculated Property
Cp,gas	1013.29	J/mol×K	937.33	Joback Calculated Property
Cp,gas	1027.43	J/mol×K	970.06	Joback Calculated Property
Cp,gas	1040.72	J/mol×K	1002.80	Joback Calculated Property
η	[0.0000251; 0.0010923]	Pa×s	[429.24; 806.40]
η	0.0010923	Pa×s	429.24	Joback Calculated Property
η	0.0003897	Pa×s	492.10	Joback Calculated Property
η	0.0001756	Pa×s	554.96	Joback Calculated Property
η	0.0000931	Pa×s	617.82	Joback Calculated Property
η	0.0000555	Pa×s	680.68	Joback Calculated Property
η	0.0000361	Pa×s	743.54	Joback Calculated Property
η	0.0000251	Pa×s	806.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, di(2,4,4-trimethylpentyl) ester.

Sources

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

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