Chemical Properties of 1,3-Dibromo-5,7-dimethyladamantane

InChI

InChI=1S/C12H18Br2/c1-9-3-10(2)6-11(13,4-9)8-12(14,5-9)7-10/h3-8H2,1-2H3

InChI Key

XIWKEBIXYLMOKD-UHFFFAOYSA-N

Formula

C12H18Br2

SMILES

CC12CC3(C)CC(Br)(C1)CC(Br)(C2)C3

Molecular Weight¹

322.08

Other Names

• 5,7-dimethyl-1,3-dibromoadamantane

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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
ΔfH°gas	-165.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	5.59	kJ/mol	Joback Calculated Property
IE	9.42	eV	Relay (1.0) Calculated Property
logPoct/wat	4.648		Crippen Calculated Property
McVol	182.360	ml/mol	McGowan Calculated Property
Inp	[1606.00; 1660.00]
Inp	1606.00		NIST
Inp	1627.00		NIST
Inp	1642.00		NIST
Inp	1660.00		NIST
Tfus	350.68	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, 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	[458.53; 570.83]	J/mol×K	[627.26; 904.26]
Cp,gas	458.53	J/mol×K	627.26	Joback Calculated Property
Cp,gas	475.79	J/mol×K	673.43	Joback Calculated Property
Cp,gas	492.35	J/mol×K	719.59	Joback Calculated Property
Cp,gas	509.17	J/mol×K	765.76	Joback Calculated Property
Cp,gas	527.21	J/mol×K	811.92	Joback Calculated Property
Cp,gas	547.44	J/mol×K	858.09	Joback Calculated Property
Cp,gas	570.83	J/mol×K	904.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Dibromo-5,7-dimethyladamantane.

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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