Chemical Properties of Propane-1,2-diyl bis(3-chlorobenzoate)

InChI

InChI=1S/C17H14Cl2O4/c1-11(23-17(21)13-5-3-7-15(19)9-13)10-22-16(20)12-4-2-6-14(18)8-12/h2-9,11H,10H2,1H3

InChI Key

MKQOXSIRSIFZPS-UHFFFAOYSA-N

Formula

C17H14Cl2O4

SMILES

CC(COC(=O)c1cccc(Cl)c1)OC(=O)c1cccc(Cl)c1

Molecular Weight¹

353.20

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[315.87; 686.54]	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			2.31410e+01
Coefficient B			1.25192e+00
Coefficient C			-6.84120e-04
Coefficient D			9.56000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	315.87	J/mol×K	273.00	Calculated Property
Cp,gas	384.65	J/mol×K	353.78	Calculated Property
Cp,gas	445.83	J/mol×K	434.56	Calculated Property
Cp,gas	499.70	J/mol×K	515.33	Calculated Property
Cp,gas	546.57	J/mol×K	596.11	Calculated Property
Cp,gas	586.75	J/mol×K	676.89	Calculated Property
Cp,gas	620.53	J/mol×K	757.67	Calculated Property
Cp,gas	648.23	J/mol×K	838.44	Calculated Property
Cp,gas	670.13	J/mol×K	919.22	Calculated Property
Cp,gas	686.54	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006216; 0.0000689]	Pa×s	[488.73; 756.77]	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			-1.35940e+01
Coefficient B			3.03538e+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.			488.73
Temperature range, max.			756.77
η	0.0006216	Pa×s	488.73	Calculated Property
η	0.0004351	Pa×s	518.51	Calculated Property
η	0.0003166	Pa×s	548.29	Calculated Property
η	0.0002380	Pa×s	578.08	Calculated Property
η	0.0001840	Pa×s	607.86	Calculated Property
η	0.0001457	Pa×s	637.64	Calculated Property
η	0.0001179	Pa×s	667.42	Calculated Property
η	0.0000970	Pa×s	697.21	Calculated Property
η	0.0000812	Pa×s	726.99	Calculated Property
η	0.0000689	Pa×s	756.77	Calculated Property

Similar Compounds

Find more compounds similar to Propane-1,2-diyl bis(3-chlorobenzoate).

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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