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

• 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°	213.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-36.90	kJ/mol	Joback Calculated Property
ΔfusH°	16.61	kJ/mol	Joback Calculated Property
ΔvapH°	44.97	kJ/mol	Joback Calculated Property
log10WS	-3.58		Crippen 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	537.30	K	Joback Calculated Property
Tc	773.48	K	Joback Calculated Property
Tfus	343.49	K	Joback Calculated Property
Vc	0.574	m3/kmol	Joback 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

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.