Chemical Properties of 1,4,5,7,8,8-Hexachloro-3a,4,7,7a-tetrahydro-1H-4,7-methano-indene

InChI

InChI=1S/C10H6Cl6/c11-5-2-1-4-7(5)8(13)3-6(12)9(4,14)10(8,15)16/h1-5,7H

InChI Key

RKUDGXDTVRLFRR-UHFFFAOYSA-N

Formula

C10H6Cl6

SMILES

ClC1=CC2(Cl)C3C(Cl)C=CC3C1(Cl)C2(Cl)Cl

Molecular Weight¹

338.87

• 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°	142.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-43.14	kJ/mol	Joback Calculated Property
ΔfusH°	25.52	kJ/mol	Joback Calculated Property
ΔvapH°	60.94	kJ/mol	Joback Calculated Property
log10WS	-5.27		Crippen Calculated Property
logPoct/wat	4.675		Crippen Calculated Property
McVol	184.020	ml/mol	McGowan Calculated Property
Pc	2793.56	kPa	Joback Calculated Property
Inp	[1778.40; 1807.10]
Inp	1778.40		NIST
Inp	1807.10		NIST
Inp	1778.40		NIST
Tboil	667.28	K	Joback Calculated Property
Tc	943.85	K	Joback Calculated Property
Tfus	505.30	K	Joback Calculated Property
Vc	0.716	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[396.61; 475.10]	J/mol×K	[667.28; 943.85]
Cp,gas	396.61	J/mol×K	667.28	Joback Calculated Property
Cp,gas	407.08	J/mol×K	713.37	Joback Calculated Property
Cp,gas	417.63	J/mol×K	759.47	Joback Calculated Property
Cp,gas	428.99	J/mol×K	805.56	Joback Calculated Property
Cp,gas	441.88	J/mol×K	851.66	Joback Calculated Property
Cp,gas	457.00	J/mol×K	897.75	Joback Calculated Property
Cp,gas	475.10	J/mol×K	943.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,4,5,7,8,8-Hexachloro-3a,4,7,7a-tetrahydro-1H-4,7-methano-indene.

Sources

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

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