Chemical Properties of Succinic acid, 3-chlorophenyl 2,3-dimethylphenyl ester

InChI

InChI=1S/C18H17ClO4/c1-12-5-3-8-16(13(12)2)23-18(21)10-9-17(20)22-15-7-4-6-14(19)11-15/h3-8,11H,9-10H2,1-2H3

InChI Key

MBZKMOUZNYQDOD-UHFFFAOYSA-N

Formula

C18H17ClO4

SMILES

Cc1cccc(OC(=O)CCC(=O)Oc2cccc(Cl)c2)c1C

Molecular Weight¹

332.78

• 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°	42.23	kJ/mol	Joback Calculated Property
IE	8.14	eV	Relay (1.0) Calculated Property
log10WS	-5.28		Relay (1.0) Calculated Property
logPoct/wat	4.248		Crippen Calculated Property
McVol	244.080	ml/mol	McGowan Calculated Property
Inp	[2609.00; 2609.00]
Inp	2609.00		NIST
Inp	2609.00		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	[326.55; 726.28]	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			2.53220e+01
Coefficient B			1.27474e+00
Coefficient C			-6.47880e-04
Coefficient D			7.41000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	326.55	J/mol×K	273.00	Calculated Property
Cp,gas	398.49	J/mol×K	353.78	Calculated Property
Cp,gas	463.00	J/mol×K	434.56	Calculated Property
Cp,gas	520.32	J/mol×K	515.33	Calculated Property
Cp,gas	570.68	J/mol×K	596.11	Calculated Property
Cp,gas	614.32	J/mol×K	676.89	Calculated Property
Cp,gas	651.46	J/mol×K	757.67	Calculated Property
Cp,gas	682.34	J/mol×K	838.44	Calculated Property
Cp,gas	707.21	J/mol×K	919.22	Calculated Property
Cp,gas	726.28	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005185; 0.0000767]	Pa×s	[497.60; 744.22]	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			-1.33305e+01
Coefficient B			2.86914e+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.			497.60
Temperature range, max.			744.22
η	0.0005185	Pa×s	497.60	Calculated Property
η	0.0003838	Pa×s	525.00	Calculated Property
η	0.0002926	Pa×s	552.40	Calculated Property
η	0.0002289	Pa×s	579.81	Calculated Property
η	0.0001831	Pa×s	607.21	Calculated Property
η	0.0001493	Pa×s	634.61	Calculated Property
η	0.0001238	Pa×s	662.01	Calculated Property
η	0.0001042	Pa×s	689.41	Calculated Property
η	0.0000889	Pa×s	716.82	Calculated Property
η	0.0000767	Pa×s	744.22	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-chlorophenyl 2,3-dimethylphenyl 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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