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

InChI

InChI=1S/C19H19ClO5/c1-13-11-16(7-8-17(13)20)25-19(22)10-9-18(21)24-12-14-3-5-15(23-2)6-4-14/h3-8,11H,9-10,12H2,1-2H3

InChI Key

YXFFZWIXZXWMCQ-UHFFFAOYSA-N

Formula

C19H19ClO5

SMILES

COc1ccc(COC(=O)CCC(=O)Oc2ccc(Cl)c(C)c2)cc1

Molecular Weight¹

362.80

• 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).
• 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°	46.00	kJ/mol	Joback Calculated Property
logPoct/wat	4.086		Crippen Calculated Property
McVol	264.040	ml/mol	McGowan Calculated Property
Inp	[2900.00; 2900.00]
Inp	2900.00		NIST
Inp	2900.00		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, 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	[363.17; 796.37]	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			4.99130e+01
Coefficient B			1.30654e+00
Coefficient C			-5.91280e-04
Coefficient D			3.12000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	363.17	J/mol×K	273.00	Calculated Property
Cp,gas	439.52	J/mol×K	353.78	Calculated Property
Cp,gas	508.58	J/mol×K	434.56	Calculated Property
Cp,gas	570.46	J/mol×K	515.33	Calculated Property
Cp,gas	625.25	J/mol×K	596.11	Calculated Property
Cp,gas	673.06	J/mol×K	676.89	Calculated Property
Cp,gas	713.98	J/mol×K	757.67	Calculated Property
Cp,gas	748.10	J/mol×K	838.44	Calculated Property
Cp,gas	775.53	J/mol×K	919.22	Calculated Property
Cp,gas	796.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003289; 0.0000534]	Pa×s	[531.10; 773.18]	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			-1.38291e+01
Coefficient B			3.08539e+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.			531.10
Temperature range, max.			773.18
η	0.0003289	Pa×s	531.10	Calculated Property
η	0.0002486	Pa×s	558.00	Calculated Property
η	0.0001928	Pa×s	584.90	Calculated Property
η	0.0001529	Pa×s	611.79	Calculated Property
η	0.0001236	Pa×s	638.69	Calculated Property
η	0.0001017	Pa×s	665.59	Calculated Property
η	0.0000849	Pa×s	692.49	Calculated Property
η	0.0000719	Pa×s	719.38	Calculated Property
η	0.0000616	Pa×s	746.28	Calculated Property
η	0.0000534	Pa×s	773.18	Calculated Property

Similar Compounds

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