Chemical Properties of 1,3,5-trichloroadamantane

InChI

InChI=1S/C10H13Cl3/c11-8-1-7-2-9(12,4-8)6-10(13,3-7)5-8/h7H,1-6H2

InChI Key

WJUXAPLLOUYXEF-UHFFFAOYSA-N

Formula

C10H13Cl3

SMILES

ClC12CC3CC(Cl)(C1)CC(Cl)(C3)C2

Molecular Weight¹

239.57

• 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°	143.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-59.33	kJ/mol	Joback Calculated Property
ΔfusH°	8.73	kJ/mol	Joback Calculated Property
ΔvapH°	47.16	kJ/mol	Joback Calculated Property
log10WS	-4.25		Crippen Calculated Property
logPoct/wat	3.917		Crippen Calculated Property
McVol	155.900	ml/mol	McGowan Calculated Property
Pc	3184.73	kPa	Joback Calculated Property
Inp	[1582.00; 1582.00]
Inp	1582.00		NIST
Inp	1582.00		NIST
Inp	1582.00		NIST
Tboil	561.03	K	Joback Calculated Property
Tc	821.78	K	Joback Calculated Property
Tfus	409.98	K	Joback Calculated Property
Vc	0.599	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[366.38; 450.15]	J/mol×K	[561.03; 821.78]
Cp,gas	366.38	J/mol×K	561.03	Joback Calculated Property
Cp,gas	382.39	J/mol×K	604.49	Joback Calculated Property
Cp,gas	396.75	J/mol×K	647.95	Joback Calculated Property
Cp,gas	410.08	J/mol×K	691.40	Joback Calculated Property
Cp,gas	423.01	J/mol×K	734.86	Joback Calculated Property
Cp,gas	436.16	J/mol×K	778.32	Joback Calculated Property
Cp,gas	450.15	J/mol×K	821.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3,5-trichloroadamantane.

Sources

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

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