Chemical Properties of Succinic acid, 4-chloro-3-methylphenyl 3-phenoxybenzyl ester

InChI

InChI=1S/C24H21ClO5/c1-17-14-21(10-11-22(17)25)30-24(27)13-12-23(26)28-16-18-6-5-9-20(15-18)29-19-7-3-2-4-8-19/h2-11,14-15H,12-13,16H2,1H3

InChI Key

ZZGKDILGUVTLHR-UHFFFAOYSA-N

Formula

C24H21ClO5

SMILES

Cc1cc(OC(=O)CCC(=O)OCc2cccc(Oc3ccccc3)c2)ccc1Cl

Molecular Weight¹

424.88

• 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).
• 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°	52.99	kJ/mol	Joback Calculated Property
log10WS	-6.68		Relay (1.0) Calculated Property
logPoct/wat	5.870		Crippen Calculated Property
McVol	310.730	ml/mol	McGowan Calculated Property
Inp	[3300.00; 3300.00]
Inp	3300.00		NIST
Inp	3300.00		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, Ionization energy 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	[411.98; 935.80]	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			1.14630e+01
Coefficient B			1.70262e+00
Coefficient C			-8.94480e-04
Coefficient D			1.16200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	411.98	J/mol×K	273.00	Calculated Property
Cp,gas	507.01	J/mol×K	353.78	Calculated Property
Cp,gas	591.97	J/mol×K	434.56	Calculated Property
Cp,gas	667.24	J/mol×K	515.33	Calculated Property
Cp,gas	733.18	J/mol×K	596.11	Calculated Property
Cp,gas	790.15	J/mol×K	676.89	Calculated Property
Cp,gas	838.54	J/mol×K	757.67	Calculated Property
Cp,gas	878.70	J/mol×K	838.44	Calculated Property
Cp,gas	911.00	J/mol×K	919.22	Calculated Property
Cp,gas	935.80	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001661; 0.0000276]	Pa×s	[613.87; 885.86]	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			-1.45502e+01
Coefficient B			3.58961e+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.			613.87
Temperature range, max.			885.86
η	0.0001661	Pa×s	613.87	Calculated Property
η	0.0001263	Pa×s	644.09	Calculated Property
η	0.0000984	Pa×s	674.31	Calculated Property
η	0.0000783	Pa×s	704.53	Calculated Property
η	0.0000635	Pa×s	734.75	Calculated Property
η	0.0000523	Pa×s	764.97	Calculated Property
η	0.0000438	Pa×s	795.20	Calculated Property
η	0.0000371	Pa×s	825.42	Calculated Property
η	0.0000318	Pa×s	855.64	Calculated Property
η	0.0000276	Pa×s	885.86	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 4-chloro-3-methylphenyl 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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