Chemical Properties of Tricyclo[3.3.1.1(3,7)]decane, 2-bromo- (CAS 7314-85-4)

InChI

InChI=1S/C10H15Br/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2

InChI Key

RCXJARRRXOPXBC-UHFFFAOYSA-N

Formula

C10H15Br

SMILES

BrC1C2CC3CC(C2)CC1C3

Molecular Weight¹

215.13

CAS

7314-85-4

Other Names

• Adamantane, 2-bromo-
• 2-Adamantyl bromide
• 2-Bromoadamantane
• 2-bromotricyclo[3.3.1.13,7]decane

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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
ΔfG°	202.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-51.84	kJ/mol	Joback Calculated Property
ΔfusH°	21.39	kJ/mol	Joback Calculated Property
ΔvapH°	43.58	kJ/mol	Joback Calculated Property
IE	9.31 ± 0.05	eV	NIST
log10WS	-3.27		Crippen Calculated Property
logPoct/wat	3.206		Crippen Calculated Property
McVol	136.680	ml/mol	McGowan Calculated Property
Pc	3228.31	kPa	Joback Calculated Property
Inp	[1426.00; 1482.00]
Inp	1433.00		NIST
Inp	1433.00		NIST
Inp	1426.00		NIST
Inp	1447.00		NIST
Inp	1464.00		NIST
Inp	1482.00		NIST
Inp	1426.00		NIST
Inp	1426.00		NIST
Inp	1426.00		NIST
Inp	1433.00		NIST
Inp	1482.00		NIST
I	[1861.00; 1891.00]
I	1869.00		NIST
I	1869.00		NIST
I	1861.00		NIST
I	1891.00		NIST
I	1869.00		NIST
Tboil	509.51	K	Joback Calculated Property
Tc	740.03	K	Joback Calculated Property
Tfus	304.08	K	Joback Calculated Property
Vc	0.518	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[324.71; 424.41]	J/mol×K	[509.51; 740.03]
Cp,gas	324.71	J/mol×K	509.51	Joback Calculated Property
Cp,gas	344.72	J/mol×K	547.93	Joback Calculated Property
Cp,gas	363.21	J/mol×K	586.35	Joback Calculated Property
Cp,gas	380.30	J/mol×K	624.77	Joback Calculated Property
Cp,gas	396.12	J/mol×K	663.19	Joback Calculated Property
Cp,gas	410.78	J/mol×K	701.61	Joback Calculated Property
Cp,gas	424.41	J/mol×K	740.03	Joback Calculated Property
η	[0.0014069; 0.0020741]	Pa×s	[304.08; 509.51]
η	0.0014069	Pa×s	304.08	Joback Calculated Property
η	0.0015509	Pa×s	338.32	Joback Calculated Property
η	0.0016792	Pa×s	372.56	Joback Calculated Property
η	0.0017940	Pa×s	406.79	Joback Calculated Property
η	0.0018971	Pa×s	441.03	Joback Calculated Property
η	0.0019900	Pa×s	475.27	Joback Calculated Property
η	0.0020741	Pa×s	509.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to Tricyclo[3.3.1.1(3,7)]decane, 2-bromo-.

Sources

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

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