Chemical Properties of Succinic acid, 3-chlorophenyl 3-phenoxybenzyl ester

InChI

InChI=1S/C23H19ClO5/c24-18-7-5-11-21(15-18)29-23(26)13-12-22(25)27-16-17-6-4-10-20(14-17)28-19-8-2-1-3-9-19/h1-11,14-15H,12-13,16H2

InChI Key

DSCGAGNYRDXVON-UHFFFAOYSA-N

Formula

C23H19ClO5

SMILES

O=C(CCC(=O)Oc1cccc(Cl)c1)OCc1cccc(Oc2ccccc2)c1

Molecular Weight¹

410.85

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	50.79	kJ/mol	Joback Calculated Property
IE	8.12	eV	Relay (1.0) Calculated Property
log10WS	-6.37		Relay (1.0) Calculated Property
logPoct/wat	5.561		Crippen Calculated Property
McVol	296.640	ml/mol	McGowan Calculated Property
Inp	[3174.00; 3174.00]
Inp	3174.00		NIST
Inp	3174.00		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 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	[388.21; 887.25]	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			-1.92700e+00
Coefficient B			1.66710e+00
Coefficient C			-9.07120e-04
Coefficient D			1.29200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	388.21	J/mol×K	273.00	Calculated Property
Cp,gas	480.04	J/mol×K	353.78	Calculated Property
Cp,gas	561.82	J/mol×K	434.56	Calculated Property
Cp,gas	633.96	J/mol×K	515.33	Calculated Property
Cp,gas	696.87	J/mol×K	596.11	Calculated Property
Cp,gas	750.96	J/mol×K	676.89	Calculated Property
Cp,gas	796.63	J/mol×K	757.67	Calculated Property
Cp,gas	834.30	J/mol×K	838.44	Calculated Property
Cp,gas	864.37	J/mol×K	919.22	Calculated Property
Cp,gas	887.25	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002100; 0.0000309]	Pa×s	[590.08; 866.62]	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			-1.44788e+01
Coefficient B			3.54671e+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.			590.08
Temperature range, max.			866.62
η	0.0002100	Pa×s	590.08	Calculated Property
η	0.0001560	Pa×s	620.81	Calculated Property
η	0.0001192	Pa×s	651.53	Calculated Property
η	0.0000932	Pa×s	682.26	Calculated Property
η	0.0000745	Pa×s	712.99	Calculated Property
η	0.0000607	Pa×s	743.71	Calculated Property
η	0.0000502	Pa×s	774.44	Calculated Property
η	0.0000422	Pa×s	805.17	Calculated Property
η	0.0000359	Pa×s	835.89	Calculated Property
η	0.0000309	Pa×s	866.62	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-chlorophenyl 3-phenoxybenzyl 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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