Chemical Properties of Succinic acid, 2,2-dichloroethyl 3-phenoxybenzyl ester

InChI

InChI=1S/C19H18Cl2O5/c20-17(21)13-25-19(23)10-9-18(22)24-12-14-5-4-8-16(11-14)26-15-6-2-1-3-7-15/h1-8,11,17H,9-10,12-13H2

InChI Key

SCCKPNHCCSKRRT-UHFFFAOYSA-N

Formula

C19H18Cl2O5

SMILES

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

Molecular Weight¹

397.25

• 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).
• 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°	47.46	kJ/mol	Joback Calculated Property
log10WS	-5.62		Relay (1.0) Calculated Property
logPoct/wat	4.649		Crippen Calculated Property
McVol	276.280	ml/mol	McGowan Calculated Property
Inp	[2816.00; 2816.00]
Inp	2816.00		NIST
Inp	2816.00		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	[371.15; 811.26]	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			3.25240e+01
Coefficient B			1.43820e+00
Coefficient C			-7.48960e-04
Coefficient D			8.95000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	371.15	J/mol×K	273.00	Calculated Property
Cp,gas	451.55	J/mol×K	353.78	Calculated Property
Cp,gas	523.41	J/mol×K	434.56	Calculated Property
Cp,gas	587.02	J/mol×K	515.33	Calculated Property
Cp,gas	642.67	J/mol×K	596.11	Calculated Property
Cp,gas	690.63	J/mol×K	676.89	Calculated Property
Cp,gas	731.18	J/mol×K	757.67	Calculated Property
Cp,gas	764.62	J/mol×K	838.44	Calculated Property
Cp,gas	791.22	J/mol×K	919.22	Calculated Property
Cp,gas	811.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003961; 0.0000418]	Pa×s	[520.98; 795.42]	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			-1.43544e+01
Coefficient B			3.39705e+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.			520.98
Temperature range, max.			795.42
η	0.0003961	Pa×s	520.98	Calculated Property
η	0.0002762	Pa×s	551.47	Calculated Property
η	0.0002000	Pa×s	581.97	Calculated Property
η	0.0001496	Pa×s	612.46	Calculated Property
η	0.0001150	Pa×s	642.95	Calculated Property
η	0.0000905	Pa×s	673.45	Calculated Property
η	0.0000727	Pa×s	703.94	Calculated Property
η	0.0000595	Pa×s	734.43	Calculated Property
η	0.0000495	Pa×s	764.93	Calculated Property
η	0.0000418	Pa×s	795.42	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,2-dichloroethyl 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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