Chemical Properties of 1,5-Pentanediol, O,O'-bis(3-chlorobenzoyl)-

InChI

InChI=1S/C19H18Cl2O4/c20-16-8-4-6-14(12-16)18(22)24-10-2-1-3-11-25-19(23)15-7-5-9-17(21)13-15/h4-9,12-13H,1-3,10-11H2

InChI Key

FPCKGOGDFMLLJD-UHFFFAOYSA-N

Formula

C19H18Cl2O4

SMILES

O=C(OCCCCCOC(=O)c1cccc(Cl)c1)c1cccc(Cl)c1

Molecular Weight¹

381.25

• ω : Acentric Factor.
• 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).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[358.62; 789.18]	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			2.30050e+01
Coefficient B			1.43600e+00
Coefficient C			-7.89720e-04
Coefficient D			1.19900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	358.62	J/mol×K	273.00	Calculated Property
Cp,gas	437.50	J/mol×K	353.78	Calculated Property
Cp,gas	507.74	J/mol×K	434.56	Calculated Property
Cp,gas	569.71	J/mol×K	515.33	Calculated Property
Cp,gas	623.79	J/mol×K	596.11	Calculated Property
Cp,gas	670.37	J/mol×K	676.89	Calculated Property
Cp,gas	709.82	J/mol×K	757.67	Calculated Property
Cp,gas	742.52	J/mol×K	838.44	Calculated Property
Cp,gas	768.85	J/mol×K	919.22	Calculated Property
Cp,gas	789.19	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004404; 0.0000606]	Pa×s	[526.27; 782.81]	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			-1.37815e+01
Coefficient B			3.18588e+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.			526.27
Temperature range, max.			782.81
η	0.0004404	Pa×s	526.27	Calculated Property
η	0.0003227	Pa×s	554.77	Calculated Property
η	0.0002437	Pa×s	583.28	Calculated Property
η	0.0001890	Pa×s	611.78	Calculated Property
η	0.0001499	Pa×s	640.29	Calculated Property
η	0.0001212	Pa×s	668.79	Calculated Property
η	0.0000998	Pa×s	697.30	Calculated Property
η	0.0000834	Pa×s	725.80	Calculated Property
η	0.0000706	Pa×s	754.31	Calculated Property
η	0.0000606	Pa×s	782.81	Calculated Property

Similar Compounds

Find more compounds similar to 1,5-Pentanediol, O,O'-bis(3-chlorobenzoyl)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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