Chemical Properties of Succinic acid, 2-chlorophenyl 4-isopropylphenyl ester

InChI

InChI=1S/C19H19ClO4/c1-13(2)14-7-9-15(10-8-14)23-18(21)11-12-19(22)24-17-6-4-3-5-16(17)20/h3-10,13H,11-12H2,1-2H3

InChI Key

BLTOWMREEODYHM-UHFFFAOYSA-N

Formula

C19H19ClO4

SMILES

CC(C)c1ccc(OC(=O)CCC(=O)Oc2ccccc2Cl)cc1

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).
• 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	41.68	kJ/mol	Joback Calculated Property
IE	8.27	eV	Relay (1.0) Calculated Property
log10WS	-5.59		Relay (1.0) Calculated Property
logPoct/wat	4.755		Crippen Calculated Property
McVol	258.170	ml/mol	McGowan Calculated Property
Inp	[2719.00; 2719.00]
Inp	2719.00		NIST
Inp	2719.00		NIST
Tboil	637.59	K	Relay (1.0) Calculated Property
Tfus	342.10	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[344.90; 781.45]	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			8.43200e+00
Coefficient B			1.43514e+00
Coefficient C			-7.72520e-04
Coefficient D			1.10400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	344.90	J/mol×K	273.00	Calculated Property
Cp,gas	424.35	J/mol×K	353.78	Calculated Property
Cp,gas	495.26	J/mol×K	434.56	Calculated Property
Cp,gas	557.96	J/mol×K	515.33	Calculated Property
Cp,gas	612.81	J/mol×K	596.11	Calculated Property
Cp,gas	660.15	J/mol×K	676.89	Calculated Property
Cp,gas	700.34	J/mol×K	757.67	Calculated Property
Cp,gas	733.72	J/mol×K	838.44	Calculated Property
Cp,gas	760.64	J/mol×K	919.22	Calculated Property
Cp,gas	781.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006268; 0.0000625]	Pa×s	[481.35; 756.31]	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			-1.37162e+01
Coefficient B			3.05238e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			481.35
Temperature range, max.			756.31
η	0.0006268	Pa×s	481.35	Calculated Property
η	0.0004293	Pa×s	511.90	Calculated Property
η	0.0003068	Pa×s	542.45	Calculated Property
η	0.0002273	Pa×s	573.00	Calculated Property
η	0.0001736	Pa×s	603.56	Calculated Property
η	0.0001360	Pa×s	634.11	Calculated Property
η	0.0001090	Pa×s	664.66	Calculated Property
η	0.0000891	Pa×s	695.21	Calculated Property
η	0.0000741	Pa×s	725.76	Calculated Property
η	0.0000625	Pa×s	756.31	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-chlorophenyl 4-isopropylphenyl 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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