Chemical Properties of Fumaric acid, 2-ethylbutyl naphth-2-ylmethyl ester

InChI

InChI=1S/C21H24O4/c1-3-16(4-2)14-24-20(22)11-12-21(23)25-15-17-9-10-18-7-5-6-8-19(18)13-17/h5-13,16H,3-4,14-15H2,1-2H3/b12-11-

InChI Key

CQJMVZUCOGWSKD-VAWYXSNFSA-N

Formula

C21H24O4

SMILES

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

Molecular Weight¹

340.42

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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	0.8402		Relay (1.0) Calculated Property
ΔfusH°	46.23	kJ/mol	Joback Calculated Property
IE	8.40	eV	Relay (1.0) Calculated Property
log10WS	-5.94		Relay (1.0) Calculated Property
logPoct/wat	4.419		Crippen Calculated Property
McVol	274.110	ml/mol	McGowan Calculated Property
Pc	1475.88	kPa	Joback Calculated Property
Inp	[2740.00; 2740.00]
Inp	2740.00		NIST
Inp	2740.00		NIST
Tboil	685.15	K	Relay (1.0) Calculated Property
Tc	922.49	K	Relay (1.0) Calculated Property
Tfus	321.62	K	Relay (1.0) Calculated Property
Vc	0.957	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[823.36; 895.07]	J/mol×K	[850.88; 1067.33]
Cp,gas	823.36	J/mol×K	850.88	Joback Calculated Property
Cp,gas	837.96	J/mol×K	886.95	Joback Calculated Property
Cp,gas	851.41	J/mol×K	923.03	Joback Calculated Property
Cp,gas	863.77	J/mol×K	959.10	Joback Calculated Property
Cp,gas	875.12	J/mol×K	995.18	Joback Calculated Property
Cp,gas	885.53	J/mol×K	1031.25	Joback Calculated Property
Cp,gas	895.07	J/mol×K	1067.33	Joback Calculated Property
η	[0.0000576; 0.0008810]	Pa×s	[462.65; 850.88]
η	0.0008810	Pa×s	462.65	Joback Calculated Property
η	0.0004231	Pa×s	527.36	Joback Calculated Property
η	0.0002385	Pa×s	592.06	Joback Calculated Property
η	0.0001505	Pa×s	656.76	Joback Calculated Property
η	0.0001032	Pa×s	721.47	Joback Calculated Property
η	0.0000753	Pa×s	786.17	Joback Calculated Property
η	0.0000576	Pa×s	850.88	Joback Calculated Property

Similar Compounds

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

Sources

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

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