Chemical Properties of m,p'-DDT

InChI

InChI=1S/C14H9Cl5/c15-11-6-4-9(5-7-11)13(14(17,18)19)10-2-1-3-12(16)8-10/h1-8,13H

InChI Key

LMNGXUAFBMMCLT-UHFFFAOYSA-N

Formula

C14H9Cl5

SMILES

Clc1ccc(C(c2cccc(Cl)c2)C(Cl)(Cl)Cl)cc1

Molecular Weight¹

354.49

• 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).
• 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, 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	[258.31; 541.83]	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			-1.07500e+01
Coefficient B			1.22270e+00
Coefficient C			-9.43120e-04
Coefficient D			2.73000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	258.31	J/mol×K	273.00	Calculated Property
Cp,gas	315.86	J/mol×K	353.78	Calculated Property
Cp,gas	364.89	J/mol×K	434.56	Calculated Property
Cp,gas	406.25	J/mol×K	515.33	Calculated Property
Cp,gas	440.81	J/mol×K	596.11	Calculated Property
Cp,gas	469.43	J/mol×K	676.89	Calculated Property
Cp,gas	492.98	J/mol×K	757.67	Calculated Property
Cp,gas	512.32	J/mol×K	838.44	Calculated Property
Cp,gas	528.32	J/mol×K	919.22	Calculated Property
Cp,gas	541.83	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009338; 0.0001079]	Pa×s	[462.44; 729.12]	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			-1.28753e+01
Coefficient B			2.72796e+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.			462.44
Temperature range, max.			729.12
η	0.0009338	Pa×s	462.44	Calculated Property
η	0.0006546	Pa×s	492.07	Calculated Property
η	0.0004778	Pa×s	521.70	Calculated Property
η	0.0003607	Pa×s	551.33	Calculated Property
η	0.0002803	Pa×s	580.97	Calculated Property
η	0.0002232	Pa×s	610.60	Calculated Property
η	0.0001815	Pa×s	640.23	Calculated Property
η	0.0001503	Pa×s	669.86	Calculated Property
η	0.0001265	Pa×s	699.49	Calculated Property
η	0.0001079	Pa×s	729.12	Calculated Property

Similar Compounds

Find more compounds similar to m,p'-DDT.

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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