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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-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°	8.73	kJ/mol	Joback Calculated Property
IE	9.65	eV	Relay (1.0) Calculated Property
logPoct/wat	3.917		Crippen Calculated Property
McVol	155.900	ml/mol	McGowan Calculated Property
Inp	[1582.00; 1582.00]
Inp	1582.00		NIST
Inp	1582.00		NIST
Inp	1582.00		NIST
Tfus	355.60	K	Relay (1.0) Calculated Property

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, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[366.46; 450.25]	J/mol×K	[561.23; 822.07]
Cp,gas	366.46	J/mol×K	561.23	Joback Calculated Property
Cp,gas	382.47	J/mol×K	604.70	Joback Calculated Property
Cp,gas	396.82	J/mol×K	648.18	Joback Calculated Property
Cp,gas	410.15	J/mol×K	691.65	Joback Calculated Property
Cp,gas	423.09	J/mol×K	735.12	Joback Calculated Property
Cp,gas	436.24	J/mol×K	778.60	Joback Calculated Property
Cp,gas	450.25	J/mol×K	822.07	Joback Calculated Property

Similar Compounds

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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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