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

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.4362		Relay (1.0) Calculated Property
ΔfG°	219.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-165.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	5.59	kJ/mol	Joback Calculated Property
ΔvapH°	63.73	kJ/mol	Relay (1.0) Calculated Property
IE	9.42	eV	Relay (1.0) Calculated Property
log10WS	-5.61		Relay (1.0) Calculated Property
logPoct/wat	4.648		Crippen Calculated Property
McVol	182.360	ml/mol	McGowan Calculated Property
Pc	3585.64	kPa	Joback Calculated Property
Inp	[1606.00; 1660.00]
Inp	1606.00		NIST
Inp	1627.00		NIST
Inp	1642.00		NIST
Inp	1660.00		NIST
Tboil	552.54	K	Relay (1.0) Calculated Property
Tc	791.89	K	Relay (1.0) Calculated Property
Tfus	357.51	K	Relay (1.0) Calculated Property
Vc	0.676	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[458.45; 570.67]	J/mol×K	[627.06; 903.97]
Cp,gas	458.45	J/mol×K	627.06	Joback Calculated Property
Cp,gas	475.71	J/mol×K	673.21	Joback Calculated Property
Cp,gas	492.27	J/mol×K	719.36	Joback Calculated Property
Cp,gas	509.08	J/mol×K	765.51	Joback Calculated Property
Cp,gas	527.11	J/mol×K	811.66	Joback Calculated Property
Cp,gas	547.32	J/mol×K	857.82	Joback Calculated Property
Cp,gas	570.67	J/mol×K	903.97	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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