Chemical Properties of cis-Chlordane (CAS 5103-71-9)

InChI

InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2/t2-,3-,4-,5-,8?,9?/m0/s1

InChI Key

BIWJNBZANLAXMG-FZOZSSNHSA-N

Formula

C10H6Cl8

SMILES

ClC1=C(Cl)C2(Cl)C3C(Cl)C(Cl)CC3C1(Cl)C2(Cl)Cl

Molecular Weight¹

409.78

CAS

5103-71-9

Other Names

• 4,7-Methano-1H-indene, 1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-, (1«alpha»,2«alpha»,3a«alpha»,4«beta»,7«beta»,7a«alpha»)-
• 4,7-Methanoindan, 1«alpha»,2«alpha»,4«beta»,5,6,7«beta»,8,8-octachloro-3a«alpha»,4,7,7a«alpha»-tetrahydro-
• «alpha»-Chlordan
• «alpha»-Chlordane
• cis-Chlordan
• Chlordan, cis-
• 4,7-Methano-1H-indene, 1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-, (1R,2S,3aS,4S,7R,7aS)-rel-
• (1«alpha»,2«alpha»,3a«alpha»,4«beta»,7«beta»,7a«alpha»)-1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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.
• I_p : Polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	33.37	kJ/mol	Joback Calculated Property
log10WS	-6.73		Relay (1.0) Calculated Property
logPoct/wat	5.683		Crippen Calculated Property
McVol	212.800	ml/mol	McGowan Calculated Property
Inp	[2050.00; 2118.10]
Inp	2056.00		NIST
Inp	2050.00		NIST
Inp	2081.80		NIST
Inp	Outlier 2118.10		NIST
Inp	2056.00		NIST
Inp	2050.00		NIST
Inp	2081.80		NIST
Ip	[2842.00; 2842.00]
Ip	2842.00		NIST
Ip	2842.00		NIST
Tfus	[377.30; 381.19]	K
Tfus	381.19 ± 0.20	K	NIST
Tfus	377.30 ± 0.20	K	NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	23.15	kJ/mol	379.90	NIST
ΔvapH	[82.00; 83.00]	kJ/mol	[366.00; 398.00]
ΔvapH	83.00	kJ/mol	366.00	NIST
ΔvapH	82.00	kJ/mol	398.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[245.54; 553.64]	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			-1.48760e+02
Coefficient B			2.04600e+00
Coefficient C			-2.52700e-03
Coefficient D			1.18340e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	245.54	J/mol×K	273.00	Calculated Property
Cp,gas	311.19	J/mol×K	353.78	Calculated Property
Cp,gas	360.26	J/mol×K	434.56	Calculated Property
Cp,gas	396.48	J/mol×K	515.33	Calculated Property
Cp,gas	423.59	J/mol×K	596.11	Calculated Property
Cp,gas	445.35	J/mol×K	676.89	Calculated Property
Cp,gas	465.49	J/mol×K	757.67	Calculated Property
Cp,gas	487.76	J/mol×K	838.44	Calculated Property
Cp,gas	515.89	J/mol×K	919.22	Calculated Property
Cp,gas	553.64	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to cis-Chlordane.

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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