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

372.92

• 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.
• 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
ω	0.4598		Relay (1.0) Calculated Property
ΔfG°	222.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-77.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.99	kJ/mol	Joback Calculated Property
ΔvapH°	65.39	kJ/mol	Relay (1.0) Calculated Property
IE	9.49	eV	Relay (1.0) Calculated Property
log10WS	-5.69		Relay (1.0) Calculated Property
logPoct/wat	4.385		Crippen Calculated Property
McVol	171.680	ml/mol	McGowan Calculated Property
Pc	4730.11	kPa	Joback 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
Tboil	570.77	K	Relay (1.0) Calculated Property
Tc	811.10	K	Relay (1.0) Calculated Property
Tfus	349.00	K	Relay (1.0) Calculated Property
Vc	0.616	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[399.71; 499.11]	J/mol×K	[647.22; 939.65]
Cp,gas	399.71	J/mol×K	647.22	Joback Calculated Property
Cp,gas	414.18	J/mol×K	695.96	Joback Calculated Property
Cp,gas	428.24	J/mol×K	744.70	Joback Calculated Property
Cp,gas	442.83	J/mol×K	793.44	Joback Calculated Property
Cp,gas	458.88	J/mol×K	842.18	Joback Calculated Property
Cp,gas	477.33	J/mol×K	890.92	Joback Calculated Property
Cp,gas	499.11	J/mol×K	939.65	Joback Calculated Property

Similar Compounds

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

Sources

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

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