Chemical Properties of 6-Chloropiperonyl chloride (CAS 23468-31-7)

InChI

InChI=1S/C8H6Cl2O2/c9-3-5-1-7-8(2-6(5)10)12-4-11-7/h1-2H,3-4H2

InChI Key

APJKOQPCHGXQBI-UHFFFAOYSA-N

Formula

C8H6Cl2O2

SMILES

ClCc1cc2c(cc1Cl)OCO2

Molecular Weight¹

205.04

CAS

23468-31-7

Other Names

• 1,3-Benzodioxole, 5-chloro-6-(chloromethyl)-

• 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).
• 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 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	[161.41; 333.07]	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			8.85100e+00
Coefficient B			6.91400e-01
Coefficient C			-5.30080e-04
Coefficient D			1.62900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	161.41	J/mol×K	273.00	Calculated Property
Cp,gas	194.32	J/mol×K	353.78	Calculated Property
Cp,gas	222.57	J/mol×K	434.56	Calculated Property
Cp,gas	246.67	J/mol×K	515.33	Calculated Property
Cp,gas	267.15	J/mol×K	596.11	Calculated Property
Cp,gas	284.50	J/mol×K	676.89	Calculated Property
Cp,gas	299.26	J/mol×K	757.67	Calculated Property
Cp,gas	311.93	J/mol×K	838.44	Calculated Property
Cp,gas	323.03	J/mol×K	919.22	Calculated Property
Cp,gas	333.07	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018667; 0.0005248]	Pa×s	[379.06; 563.13]	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			-1.01658e+01
Coefficient B			1.47159e+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.			379.06
Temperature range, max.			563.13
η	0.0018667	Pa×s	379.06	Calculated Property
η	0.0015302	Pa×s	399.51	Calculated Property
η	0.0012790	Pa×s	419.96	Calculated Property
η	0.0010869	Pa×s	440.42	Calculated Property
η	0.0009371	Pa×s	460.87	Calculated Property
η	0.0008182	Pa×s	481.32	Calculated Property
η	0.0007223	Pa×s	501.77	Calculated Property
η	0.0006440	Pa×s	522.23	Calculated Property
η	0.0005791	Pa×s	542.68	Calculated Property
η	0.0005248	Pa×s	563.13	Calculated Property

Similar Compounds

Find more compounds similar to 6-Chloropiperonyl chloride.

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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