Chemical Properties of Tricyclo[3.3.1.1(3,7)-]decane, 1-bromo-3,5-dimethyl- (CAS 941-37-7)

InChI

InChI=1S/C12H19Br/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8H2,1-2H3

InChI Key

QUCXLVDIVQWYJR-UHFFFAOYSA-N

Formula

C12H19Br

SMILES

CC12CC3CC(C)(C1)CC(Br)(C3)C2

Molecular Weight¹

243.18

CAS

941-37-7

Other Names

• 1-Bromo-3,5-dimethyladamantane
• 3,5-dimethyl-1-bromoadamantane
• 1-bromo-3,5-dimethyltricyclo[3.3.1.13,7]decane

• 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°	210.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-27.06	kJ/mol	Joback Calculated Property
ΔfusH°	6.60	kJ/mol	Joback Calculated Property
ΔvapH°	44.89	kJ/mol	Joback Calculated Property
log10WS	-4.35		Crippen Calculated Property
logPoct/wat	4.130		Crippen Calculated Property
McVol	164.860	ml/mol	McGowan Calculated Property
Pc	3142.03	kPa	Joback Calculated Property
Inp	[1401.00; 1448.00]
Inp	1401.00		NIST
Inp	1417.00		NIST
Inp	1432.00		NIST
Inp	1448.00		NIST
I	[1762.00; 1815.00]
I	1762.00		NIST
I	1788.00		NIST
I	1815.00		NIST
I	1762.00		NIST
Tboil	560.66	K	Joback Calculated Property
Tc	812.64	K	Joback Calculated Property
Tfus	402.56	K	Joback Calculated Property
Vc	0.625	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[418.51; 521.70]	J/mol×K	[560.66; 812.64]
Cp,gas	418.51	J/mol×K	560.66	Joback Calculated Property
Cp,gas	438.26	J/mol×K	602.66	Joback Calculated Property
Cp,gas	456.22	J/mol×K	644.65	Joback Calculated Property
Cp,gas	472.96	J/mol×K	686.65	Joback Calculated Property
Cp,gas	489.07	J/mol×K	728.64	Joback Calculated Property
Cp,gas	505.13	J/mol×K	770.64	Joback Calculated Property
Cp,gas	521.70	J/mol×K	812.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to Tricyclo[3.3.1.1(3,7)-]decane, 1-bromo-3,5-dimethyl-.

Sources

• 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.