Chemical Properties of Tricyclo[3.3.1.13,7]decane, 2-bromo-

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

Other Names

• 2-Adamantyl bromide
• 2-bromo-tricyclo[3.3.1.1(3,7)]decane
• 2-bromoadamantane
• 2-bromotricyclo[3.3.1.13,7]decane
• Adamantane, 2-bromo-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : 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	-112.46	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	4.20	kJ/mol	Six-membered ring aliphatic compounds: A search for regularities in phase transitions
ΔvapH°	57.00	kJ/mol	Relay (1.0) Calculated Property
IE	9.31 ± 0.05	eV	NIST
logPoct/wat	3.206		Crippen Calculated Property
McVol	136.680	ml/mol	McGowan 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	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
Tfus	515.46	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, 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	[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[3.3.1.13,7]decane, 2-bromo-.

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
• Six-membered ring aliphatic compounds: A search for regularities in phase transitions
• 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.