Chemical Properties of Fumaric acid, 2,4,4-trimethylpentyl naphth-2-ylmethyl ester

InChI

InChI=1S/C23H28O4/c1-17(14-23(2,3)4)15-26-21(24)11-12-22(25)27-16-18-9-10-19-7-5-6-8-20(19)13-18/h5-13,17H,14-16H2,1-4H3/b12-11+

InChI Key

OMKYRCZPQCDXDZ-VAWYXSNFSA-N

Formula

C23H28O4

SMILES

CC(COC(=O)C=CC(=O)OCc1ccc2ccccc2c1)CC(C)(C)C

Molecular Weight¹

368.47

• 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	0.8574		Relay (1.0) Calculated Property
ΔfG°	-35.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-659.15	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.84	kJ/mol	Joback Calculated Property
ΔvapH°	112.90	kJ/mol	Relay (1.0) Calculated Property
IE	8.36	eV	Relay (1.0) Calculated Property
log10WS	-6.44		Relay (1.0) Calculated Property
logPoct/wat	5.055		Crippen Calculated Property
McVol	302.290	ml/mol	McGowan Calculated Property
Pc	1377.86	kPa	Joback Calculated Property
Inp	[2836.00; 2836.00]
Inp	2836.00		NIST
Inp	2836.00		NIST
Tboil	694.25	K	Relay (1.0) Calculated Property
Tc	922.95	K	Relay (1.0) Calculated Property
Tfus	363.64	K	Relay (1.0) Calculated Property
Vc	1.063	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[952.40; 1030.41]	J/mol×K	[929.35; 1155.08]
Cp,gas	952.40	J/mol×K	929.35	Joback Calculated Property
Cp,gas	967.56	J/mol×K	966.97	Joback Calculated Property
Cp,gas	981.71	J/mol×K	1004.59	Joback Calculated Property
Cp,gas	994.96	J/mol×K	1042.22	Joback Calculated Property
Cp,gas	1007.43	J/mol×K	1079.84	Joback Calculated Property
Cp,gas	1019.21	J/mol×K	1117.46	Joback Calculated Property
Cp,gas	1030.41	J/mol×K	1155.08	Joback Calculated Property
η	[0.0000448; 0.0004778]	Pa×s	[547.27; 929.35]
η	0.0004778	Pa×s	547.27	Joback Calculated Property
η	0.0002621	Pa×s	610.95	Joback Calculated Property
η	0.0001611	Pa×s	674.63	Joback Calculated Property
η	0.0001077	Pa×s	738.31	Joback Calculated Property
η	0.0000767	Pa×s	801.99	Joback Calculated Property
η	0.0000574	Pa×s	865.67	Joback Calculated Property
η	0.0000448	Pa×s	929.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,4,4-trimethylpentyl naphth-2-ylmethyl ester.

Sources

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

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