Chemical Properties of Fumaric acid, naphth-1-yl 3-methylbut-2-yl ester

InChI

InChI=1S/C19H20O4/c1-13(2)14(3)22-18(20)11-12-19(21)23-17-10-6-8-15-7-4-5-9-16(15)17/h4-14H,1-3H3

InChI Key

OZRJZSNTASXVQU-VAWYXSNFSA-N

Formula

C19H20O4

SMILES

CC(C)C(C)OC(=O)/C=C/C(=O)Oc1cccc2ccccc12

Molecular Weight¹

312.36

• 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).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	34.37	kJ/mol	Joback Calculated Property
IE	8.45	eV	Relay (1.0) Calculated Property
log10WS	-5.09		Relay (1.0) Calculated Property
logPoct/wat	3.889		Crippen Calculated Property
McVol	245.930	ml/mol	McGowan Calculated Property
Inp	[2419.00; 2419.00]
Inp	2419.00		NIST
Inp	2419.00		NIST
Tfus	363.72	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[719.87; 790.35]	J/mol×K	[840.62; 1067.69]
Cp,gas	719.87	J/mol×K	840.62	Joback Calculated Property
Cp,gas	734.06	J/mol×K	878.47	Joback Calculated Property
Cp,gas	747.18	J/mol×K	916.31	Joback Calculated Property
Cp,gas	759.30	J/mol×K	954.16	Joback Calculated Property
Cp,gas	770.49	J/mol×K	992.00	Joback Calculated Property
Cp,gas	780.81	J/mol×K	1029.85	Joback Calculated Property
Cp,gas	790.35	J/mol×K	1067.69	Joback Calculated Property
η	[0.0000901; 0.0008518]	Pa×s	[484.77; 840.62]
η	0.0008518	Pa×s	484.77	Joback Calculated Property
η	0.0004777	Pa×s	544.08	Joback Calculated Property
η	0.0003001	Pa×s	603.39	Joback Calculated Property
η	0.0002049	Pa×s	662.70	Joback Calculated Property
η	0.0001490	Pa×s	722.00	Joback Calculated Property
η	0.0001137	Pa×s	781.31	Joback Calculated Property
η	0.0000901	Pa×s	840.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, naphth-1-yl 3-methylbut-2-yl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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