Chemical Properties of 1-bromomethyladamantane

InChI

InChI=1S/C11H17Br/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-7H2

InChI Key

RLRBYCAVZBQANU-UHFFFAOYSA-N

Formula

C11H17Br

SMILES

BrCC12CC3CC(CC(C3)C1)C2

Molecular Weight¹

229.16

• 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	0.3944		Relay (1.0) Calculated Property
ΔfG°	213.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-161.01	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.61	kJ/mol	Joback Calculated Property
ΔvapH°	60.18	kJ/mol	Relay (1.0) Calculated Property
IE	9.31	eV	Relay (1.0) Calculated Property
log10WS	-6.07		Relay (1.0) Calculated Property
logPoct/wat	3.598		Crippen Calculated Property
McVol	150.770	ml/mol	McGowan Calculated Property
Pc	3163.27	kPa	Joback Calculated Property
Inp	[1488.00; 1543.00]
Inp	1494.00		NIST
Inp	1543.00		NIST
Inp	1494.00		NIST
Inp	1494.00		NIST
Inp	1488.00		NIST
Inp	1508.00		NIST
Inp	1526.00		NIST
Inp	1543.00		NIST
I	[1916.00; 1971.00]
I	1925.00		NIST
I	1925.00		NIST
I	1925.00		NIST
I	1916.00		NIST
I	1941.00		NIST
I	Outlier 1971.00		NIST
Tboil	537.95	K	Relay (1.0) Calculated Property
Tc	775.72	K	Relay (1.0) Calculated Property
Tfus	486.52	K	Relay (1.0) Calculated Property
Vc	0.544	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[371.61; 470.57]	J/mol×K	[537.30; 773.48]
Cp,gas	371.61	J/mol×K	537.30	Joback Calculated Property
Cp,gas	391.45	J/mol×K	576.66	Joback Calculated Property
Cp,gas	409.61	J/mol×K	616.03	Joback Calculated Property
Cp,gas	426.35	J/mol×K	655.39	Joback Calculated Property
Cp,gas	441.92	J/mol×K	694.75	Joback Calculated Property
Cp,gas	456.58	J/mol×K	734.11	Joback Calculated Property
Cp,gas	470.57	J/mol×K	773.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-bromomethyladamantane.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.