Chemical Properties of 1,3-dibromoadamantane (CAS 876-53-9)

InChI

InChI=1S/C10H14Br2/c11-9-2-7-1-8(4-9)5-10(12,3-7)6-9/h7-8H,1-6H2

InChI Key

HLWZKLMEOVIWRK-UHFFFAOYSA-N

Formula

C10H14Br2

SMILES

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

Molecular Weight¹

294.03

CAS

876-53-9

• 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.
• I : 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°	213.42	kJ/mol	Joback Calculated Property
ΔfH°gas	25.31	kJ/mol	Joback Calculated Property
ΔfusH°	13.01	kJ/mol	Joback Calculated Property
ΔvapH°	48.02	kJ/mol	Joback Calculated Property
log10WS	-4.30		Crippen Calculated Property
logPoct/wat	3.868		Crippen Calculated Property
McVol	154.180	ml/mol	McGowan Calculated Property
Pc	4067.32	kPa	Joback Calculated Property
Inp	[1590.00; 1590.00]
Inp	1590.00		NIST
Inp	1590.00		NIST
I	[2264.00; 2264.00]
I	2264.00		NIST
I	2264.00		NIST
I	2264.00		NIST
Tboil	580.82	K	Joback Calculated Property
Tc	847.96	K	Joback Calculated Property
Tfus	415.92	K	Joback Calculated Property
Vc	0.578	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[366.43; 454.63]	J/mol×K	[580.82; 847.96]
Cp,gas	366.43	J/mol×K	580.82	Joback Calculated Property
Cp,gas	383.20	J/mol×K	625.34	Joback Calculated Property
Cp,gas	398.43	J/mol×K	669.87	Joback Calculated Property
Cp,gas	412.65	J/mol×K	714.39	Joback Calculated Property
Cp,gas	426.40	J/mol×K	758.91	Joback Calculated Property
Cp,gas	440.21	J/mol×K	803.43	Joback Calculated Property
Cp,gas	454.63	J/mol×K	847.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3-dibromoadamantane.

Sources

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

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