Chemical Properties of Succinic acid, naphth-2-ylmethyl 3,5-dichlorophenyl ester

InChI

InChI=1S/C21H16Cl2O4/c22-17-10-18(23)12-19(11-17)27-21(25)8-7-20(24)26-13-14-5-6-15-3-1-2-4-16(15)9-14/h1-6,9-12H,7-8,13H2

InChI Key

OFLHLJRUNDAELJ-UHFFFAOYSA-N

Formula

C21H16Cl2O4

SMILES

O=C(CCC(=O)Oc1cc(Cl)cc(Cl)c1)OCc1ccc2ccccc2c1

Molecular Weight¹

403.25

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	51.21	kJ/mol	Joback Calculated Property
IE	8.12	eV	Relay (1.0) Calculated Property
logPoct/wat	5.576		Crippen Calculated Property
McVol	279.130	ml/mol	McGowan Calculated Property
Inp	[3292.00; 3292.00]
Inp	3292.00		NIST
Inp	3292.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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	[362.60; 798.54]	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			4.04300e+00
Coefficient B			1.56280e+00
Coefficient C			-9.68200e-04
Coefficient D			1.99900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	362.60	J/mol×K	273.00	Calculated Property
Cp,gas	444.60	J/mol×K	353.78	Calculated Property
Cp,gas	516.74	J/mol×K	434.56	Calculated Property
Cp,gas	579.64	J/mol×K	515.33	Calculated Property
Cp,gas	633.94	J/mol×K	596.11	Calculated Property
Cp,gas	680.27	J/mol×K	676.89	Calculated Property
Cp,gas	719.27	J/mol×K	757.67	Calculated Property
Cp,gas	751.55	J/mol×K	838.44	Calculated Property
Cp,gas	777.77	J/mol×K	919.22	Calculated Property
Cp,gas	798.54	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004039; 0.0000901]	Pa×s	[594.03; 842.00]	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			-1.29074e+01
Coefficient B			3.02538e+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.			594.03
Temperature range, max.			842.00
η	0.0004039	Pa×s	594.03	Calculated Property
η	0.0003222	Pa×s	621.58	Calculated Property
η	0.0002621	Pa×s	649.14	Calculated Property
η	0.0002168	Pa×s	676.69	Calculated Property
η	0.0001820	Pa×s	704.24	Calculated Property
η	0.0001548	Pa×s	731.79	Calculated Property
η	0.0001333	Pa×s	759.35	Calculated Property
η	0.0001159	Pa×s	786.90	Calculated Property
η	0.0001018	Pa×s	814.45	Calculated Property
η	0.0000901	Pa×s	842.00	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, naphth-2-ylmethyl 3,5-dichlorophenyl 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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