Chemical Properties of Fumaric acid, naphth-2-yl hept-2-yl ester

InChI

InChI=1S/C21H24O4/c1-3-4-5-8-16(2)24-20(22)13-14-21(23)25-19-12-11-17-9-6-7-10-18(17)15-19/h6-7,9-16H,3-5,8H2,1-2H3/b14-13+

InChI Key

PBPKONUILXVONK-BUHFOSPRSA-N

Formula

C21H24O4

SMILES

CCCCCC(C)OC(=O)C=CC(=O)Oc1ccc2ccccc2c1

Molecular Weight¹

340.41

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	46.23	kJ/mol	Joback Calculated Property
logPoct/wat	4.813		Crippen Calculated Property
McVol	274.110	ml/mol	McGowan Calculated Property
Inp	[2698.00; 2698.00]
Inp	2698.00		NIST
Inp	2698.00		NIST
Tboil	667.59	K	Relay (1.0) Calculated Property
Tfus	335.74	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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, Ionization energy, Log10 of Water solubility in mol/l 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, naphth-2-yl hept-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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