Chemical Properties of Succinic acid, 4-chloro-3-methylphenyl 2,3-dimethylphenyl ester

InChI

InChI=1S/C19H19ClO4/c1-12-5-4-6-17(14(12)3)24-19(22)10-9-18(21)23-15-7-8-16(20)13(2)11-15/h4-8,11H,9-10H2,1-3H3

InChI Key

KHFOAWJTIQLLAI-UHFFFAOYSA-N

Formula

C19H19ClO4

SMILES

Cc1cc(OC(=O)CCC(=O)Oc2cccc(C)c2C)ccc1Cl

Molecular Weight¹

346.81

• 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°	44.43	kJ/mol	Joback Calculated Property
logPoct/wat	4.556		Crippen Calculated Property
McVol	258.170	ml/mol	McGowan Calculated Property
Inp	[2775.00; 2775.00]
Inp	2775.00		NIST
Inp	2775.00		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	[350.31; 774.83]	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			3.87120e+01
Coefficient B			1.31026e+00
Coefficient C			-6.35240e-04
Coefficient D			6.11000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	350.31	J/mol×K	273.00	Calculated Property
Cp,gas	425.45	J/mol×K	353.78	Calculated Property
Cp,gas	493.15	J/mol×K	434.56	Calculated Property
Cp,gas	553.59	J/mol×K	515.33	Calculated Property
Cp,gas	606.98	J/mol×K	596.11	Calculated Property
Cp,gas	653.51	J/mol×K	676.89	Calculated Property
Cp,gas	693.36	J/mol×K	757.67	Calculated Property
Cp,gas	726.74	J/mol×K	838.44	Calculated Property
Cp,gas	753.83	J/mol×K	919.22	Calculated Property
Cp,gas	774.83	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004060; 0.0000695]	Pa×s	[521.39; 762.38]	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			-1.33942e+01
Coefficient B			2.91204e+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.			521.39
Temperature range, max.			762.38
η	0.0004060	Pa×s	521.39	Calculated Property
η	0.0003091	Pa×s	548.17	Calculated Property
η	0.0002413	Pa×s	574.94	Calculated Property
η	0.0001926	Pa×s	601.72	Calculated Property
η	0.0001567	Pa×s	628.50	Calculated Property
η	0.0001297	Pa×s	655.27	Calculated Property
η	0.0001089	Pa×s	682.05	Calculated Property
η	0.0000927	Pa×s	708.83	Calculated Property
η	0.0000798	Pa×s	735.60	Calculated Property
η	0.0000695	Pa×s	762.38	Calculated Property

Similar Compounds

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