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°	45.02	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[311.42; 711.14]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.64200e+01
Coefficient B			1.54050e+00
Coefficient C			-1.04424e-03
Coefficient D			2.51300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	311.42	J/mol×K	273.00	Calculated Property
Cp,gas	389.01	J/mol×K	353.78	Calculated Property
Cp,gas	456.44	J/mol×K	434.56	Calculated Property
Cp,gas	514.53	J/mol×K	515.33	Calculated Property
Cp,gas	564.05	J/mol×K	596.11	Calculated Property
Cp,gas	605.82	J/mol×K	676.89	Calculated Property
Cp,gas	640.61	J/mol×K	757.67	Calculated Property
Cp,gas	669.23	J/mol×K	838.44	Calculated Property
Cp,gas	692.48	J/mol×K	919.22	Calculated Property
Cp,gas	711.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005419; 0.0000950]	Pa×s	[535.24; 804.08]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.27282e+01
Coefficient B			2.78740e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			535.24
Temperature range, max.			804.08
η	0.0005419	Pa×s	535.24	Calculated Property
η	0.0004115	Pa×s	565.11	Calculated Property
η	0.0003212	Pa×s	594.98	Calculated Property
η	0.0002568	Pa×s	624.85	Calculated Property
η	0.0002095	Pa×s	654.73	Calculated Property
η	0.0001740	Pa×s	684.60	Calculated Property
η	0.0001467	Pa×s	714.47	Calculated Property
η	0.0001255	Pa×s	744.34	Calculated Property
η	0.0001086	Pa×s	774.21	Calculated Property
η	0.0000950	Pa×s	804.08	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.
These property values are available through the Cheméo API. A free account gives you an access key.