Chemical Properties of Fumaric acid, 2,4,4-trimethylpentyl 2-methylpent-3-yl ester

InChI

InChI=1S/C18H32O4/c1-8-15(13(2)3)22-17(20)10-9-16(19)21-12-14(4)11-18(5,6)7/h9-10,13-15H,8,11-12H2,1-7H3/b10-9+

InChI Key

WDSSORKNQLETJT-MDZDMXLPSA-N

Formula

C18H32O4

SMILES

CCC(OC(=O)C=CC(=O)OCC(C)CC(C)(C)C)C(C)C

Molecular Weight¹

312.44

• 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	0.7582		Relay (... Calculated Property
ΔfG°	-291.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-990.15	kJ/mol	Relay (... Calculated Property
ΔfusH°	30.17	kJ/mol	Joback Calculated Property
ΔvapH°	81.18	kJ/mol	Relay (... Calculated Property
IE	9.59	eV	Relay (... Calculated Property
log10WS	-5.19		Relay (... Calculated Property
logPoct/wat	4.136		Crippen Calculated Property
McVol	275.060	ml/mol	McGowan Calculated Property
Pc	1313.70	kPa	Joback Calculated Property
Inp	[1903.00; 1903.00]
Inp	1903.00		NIST
Inp	1903.00		NIST
Tboil	579.84	K	Relay (... Calculated Property
Tc	733.96	K	Relay (... Calculated Property
Tfus	280.84	K	Relay (... Calculated Property
Vc	0.979	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[828.30; 919.35]	J/mol×K	[763.43; 956.24]
Cp,gas	828.30	J/mol×K	763.43	Joback Calculated Property
Cp,gas	845.93	J/mol×K	795.57	Joback Calculated Property
Cp,gas	862.53	J/mol×K	827.70	Joback Calculated Property
Cp,gas	878.13	J/mol×K	859.84	Joback Calculated Property
Cp,gas	892.78	J/mol×K	891.97	Joback Calculated Property
Cp,gas	906.50	J/mol×K	924.11	Joback Calculated Property
Cp,gas	919.35	J/mol×K	956.24	Joback Calculated Property
η	[0.0000390; 0.0018664]	Pa×s	[389.28; 763.43]
η	0.0018664	Pa×s	389.28	Joback Calculated Property
η	0.0006277	Pa×s	451.64	Joback Calculated Property
η	0.0002750	Pa×s	514.00	Joback Calculated Property
η	0.0001441	Pa×s	576.36	Joback Calculated Property
η	0.0000856	Pa×s	638.71	Joback Calculated Property
η	0.0000558	Pa×s	701.07	Joback Calculated Property
η	0.0000390	Pa×s	763.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,4,4-trimethylpentyl 2-methylpent-3-yl ester.

Sources

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

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