Chemical Properties of 1,3,5-Tribromoadamantane

InChI

InChI=1S/C10H13Br3/c11-8-1-7-2-9(12,4-8)6-10(13,3-7)5-8/h7H,1-6H2

InChI Key

WZCLLQRZXWUEOP-UHFFFAOYSA-N

Formula

C10H13Br3

SMILES

BrC12CC3CC(Br)(C1)CC(Br)(C3)C2

Molecular Weight¹

372.93

• 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.
• I : 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°	11.99	kJ/mol	Joback Calculated Property
IE	9.49	eV	Relay (1.0) Calculated Property
logPoct/wat	4.385		Crippen Calculated Property
McVol	171.680	ml/mol	McGowan Calculated Property
Inp	[1779.00; 1779.00]
Inp	1779.00		NIST
Inp	1779.00		NIST
Inp	1779.00		NIST
I	[2659.00; 2659.00]
I	2659.00		NIST
I	2659.00		NIST
I	2659.00		NIST
Tfus	343.83	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[174.84; 532.09]	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			-2.81510e+02
Coefficient B			2.36070e+00
Coefficient C			-2.89100e-03
Coefficient D			1.34390e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	174.84	J/mol×K	273.00	Calculated Property
Cp,gas	251.33	J/mol×K	353.78	Calculated Property
Cp,gas	308.69	J/mol×K	434.56	Calculated Property
Cp,gas	351.20	J/mol×K	515.33	Calculated Property
Cp,gas	383.09	J/mol×K	596.11	Calculated Property
Cp,gas	408.62	J/mol×K	676.89	Calculated Property
Cp,gas	432.03	J/mol×K	757.67	Calculated Property
Cp,gas	457.58	J/mol×K	838.44	Calculated Property
Cp,gas	489.52	J/mol×K	919.22	Calculated Property
Cp,gas	532.09	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

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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