Chemical Properties of «beta»-Chlordene (CAS 56534-03-3)

InChI

InChI=1S/C10H6Cl6/c11-5-3-1-2-4(5)10(16,8(14)6(2)12)9(15)7(3)13/h2-5H,1H2

InChI Key

OSFPUJNCRLXHDW-UHFFFAOYSA-N

Formula

C10H6Cl6

SMILES

ClC1=C(Cl)C2(Cl)C(Cl)=C(Cl)C3CC1C(Cl)C32

Molecular Weight¹

338.87

CAS

56534-03-3

Other Names

• 1,6-Methano-1H-indene, 2,3,3a,4,5,7-hexachloro-3a,6,7,7a-tetrahydro-, (1«alpha»,3a«beta»,6«alpha»,7«alpha»,7a«beta»)-
• 2,3,3a,4,5,7-Hexachloro-3a,6,7,7a-tetrahydro-1,6-methano-1H-indene-, (1«alpha»,3a«beta»,6«alpha»,7«alpha»,7a«beta»)-
• 1,6-Methano-1H-indene, 2,3,3a,4,5,7-hexachloro-3a,6,7,7a-tetrahydro-, (1R,3aR,6S,7S,7aR)-rel-
• 2,3,3a,4,5,7-Hexachloro-3a,6,7,7a-tetrahydro-1,6-methano-1H-indene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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

Property	Value	Unit	Source
ΔfG°	132.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-87.69	kJ/mol	Joback Calculated Property
ΔfusH°	35.88	kJ/mol	Joback Calculated Property
ΔvapH°	65.54	kJ/mol	Joback Calculated Property
log10WS	-5.80		Crippen Calculated Property
logPoct/wat	5.229		Crippen Calculated Property
McVol	184.020	ml/mol	McGowan Calculated Property
Pc	2515.07	kPa	Joback Calculated Property
Inp	[1898.00; 1964.80]
Inp	1925.80		NIST
Inp	1964.80		NIST
Inp	1898.00		NIST
Inp	1925.80		NIST
Inp	1898.00		NIST
Tboil	686.41	K	Joback Calculated Property
Tc	943.87	K	Joback Calculated Property
Tfus	499.30	K	Joback Calculated Property
Vc	0.721	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[395.62; 456.08]	J/mol×K	[686.41; 943.87]
Cp,gas	395.62	J/mol×K	686.41	Joback Calculated Property
Cp,gas	405.84	J/mol×K	729.32	Joback Calculated Property
Cp,gas	415.64	J/mol×K	772.23	Joback Calculated Property
Cp,gas	425.29	J/mol×K	815.14	Joback Calculated Property
Cp,gas	435.06	J/mol×K	858.05	Joback Calculated Property
Cp,gas	445.23	J/mol×K	900.96	Joback Calculated Property
Cp,gas	456.08	J/mol×K	943.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Chlordene.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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