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

InChI

InChI=1S/C16H12Cl2O4/c17-14(18)10-21-15(19)7-8-16(20)22-13-6-5-11-3-1-2-4-12(11)9-13/h1-9,14H,10H2/b8-7+

InChI Key

ZUXDFJBCQQSUIG-BQYQJAHWSA-N

Formula

C16H12Cl2O4

SMILES

O=C(C=CC(=O)Oc1ccc2ccccc2c1)OCC(Cl)Cl

Molecular Weight¹

339.17

• 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).
• 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°	41.68	kJ/mol	Joback Calculated Property
IE	8.68	eV	Relay (1.0) Calculated Property
logPoct/wat	3.648		Crippen Calculated Property
McVol	228.140	ml/mol	McGowan Calculated Property
Inp	[2609.00; 2609.00]
Inp	2609.00		NIST
Inp	2609.00		NIST
Tfus	383.79	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, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[294.36; 635.15]	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			-1.96900e+00
Coefficient B			1.31160e+00
Coefficient C			-8.86080e-04
Coefficient D			2.11600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	294.36	J/mol×K	273.00	Calculated Property
Cp,gas	360.51	J/mol×K	353.78	Calculated Property
Cp,gas	418.03	J/mol×K	434.56	Calculated Property
Cp,gas	467.59	J/mol×K	515.33	Calculated Property
Cp,gas	509.85	J/mol×K	596.11	Calculated Property
Cp,gas	545.48	J/mol×K	676.89	Calculated Property
Cp,gas	575.16	J/mol×K	757.67	Calculated Property
Cp,gas	599.55	J/mol×K	838.44	Calculated Property
Cp,gas	619.33	J/mol×K	919.22	Calculated Property
Cp,gas	635.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009579; 0.0001223]	Pa×s	[466.14; 732.60]	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			-1.26095e+01
Coefficient B			2.63774e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			466.14
Temperature range, max.			732.60
η	0.0009579	Pa×s	466.14	Calculated Property
η	0.0006832	Pa×s	495.75	Calculated Property
η	0.0005062	Pa×s	525.35	Calculated Property
η	0.0003872	Pa×s	554.96	Calculated Property
η	0.0003044	Pa×s	584.57	Calculated Property
η	0.0002449	Pa×s	614.18	Calculated Property
η	0.0002010	Pa×s	643.78	Calculated Property
η	0.0001679	Pa×s	673.39	Calculated Property
η	0.0001423	Pa×s	703.00	Calculated Property
η	0.0001223	Pa×s	732.60	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, naphth-2-yl 2,2-dichloroethyl 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

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