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

InChI

InChI=1S/C20H13ClO4/c21-15-7-4-8-16(13-15)24-19(22)11-12-20(23)25-18-10-3-6-14-5-1-2-9-17(14)18/h1-13H/b12-11+

InChI Key

NEPIPLKTFAXJJO-VAWYXSNFSA-N

Formula

C20H13ClO4

SMILES

O=C(C=CC(=O)Oc1cccc2ccccc12)Oc1cccc(Cl)c1

Molecular Weight¹

352.77

• 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°	41.85	kJ/mol	Joback Calculated Property
IE	8.29	eV	Relay (1.0) Calculated Property
log10WS	-6.36		Relay (1.0) Calculated Property
logPoct/wat	4.560		Crippen Calculated Property
McVol	248.500	ml/mol	McGowan Calculated Property
Inp	[2916.00; 2916.00]
Inp	2916.00		NIST
Inp	2916.00		NIST
Tfus	369.50	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	[693.23; 746.04]	J/mol×K	[933.47; 1187.29]
Cp,gas	693.23	J/mol×K	933.47	Joback Calculated Property
Cp,gas	704.16	J/mol×K	975.77	Joback Calculated Property
Cp,gas	714.09	J/mol×K	1018.08	Joback Calculated Property
Cp,gas	723.14	J/mol×K	1060.38	Joback Calculated Property
Cp,gas	731.40	J/mol×K	1102.69	Joback Calculated Property
Cp,gas	739.00	J/mol×K	1144.99	Joback Calculated Property
Cp,gas	746.04	J/mol×K	1187.29	Joback Calculated Property
η	[0.0000889; 0.0004738]	Pa×s	[594.90; 933.47]
η	0.0004738	Pa×s	594.90	Joback Calculated Property
η	0.0003177	Pa×s	651.33	Joback Calculated Property
η	0.0002270	Pa×s	707.76	Joback Calculated Property
η	0.0001705	Pa×s	764.18	Joback Calculated Property
η	0.0001332	Pa×s	820.61	Joback Calculated Property
η	0.0001074	Pa×s	877.04	Joback Calculated Property
η	0.0000889	Pa×s	933.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, naphth-1-yl 3-chlorophenyl 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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