Chemical Properties of 2-(1-Naphthyl)ethyl bromide (CAS 13686-49-2)

InChI

InChI=1S/C12H11Br/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2

InChI Key

GPHCPUFIWQJZOI-UHFFFAOYSA-N

Formula

C12H11Br

SMILES

BrCCc1cccc2ccccc12

Molecular Weight¹

235.12

CAS

13686-49-2

Other Names

• 1-(2-Bromoethyl)naphthalene
• 2-(«alpha»-Naphthyl)ethyl bromide

• ω : Acentric Factor.
• 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).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[178.33; 435.14]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-5.08780e+01
Coefficient B			1.03990e+00
Coefficient C			-8.01280e-04
Coefficient D			2.47400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	178.33	J/mol×K	273.00	Calculated Property
Cp,gas	227.68	J/mol×K	353.78	Calculated Property
Cp,gas	270.01	J/mol×K	434.56	Calculated Property
Cp,gas	306.08	J/mol×K	515.33	Calculated Property
Cp,gas	336.69	J/mol×K	596.11	Calculated Property
Cp,gas	362.62	J/mol×K	676.89	Calculated Property
Cp,gas	384.64	J/mol×K	757.67	Calculated Property
Cp,gas	403.55	J/mol×K	838.44	Calculated Property
Cp,gas	420.12	J/mol×K	919.22	Calculated Property
Cp,gas	435.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016602; 0.0003541]	Pa×s	[356.44; 584.96]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.03559e+01
Coefficient B			1.40974e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			356.44
Temperature range, max.			584.96
η	0.0016602	Pa×s	356.44	Calculated Property
η	0.0012762	Pa×s	381.83	Calculated Property
η	0.0010138	Pa×s	407.22	Calculated Property
η	0.0008274	Pa×s	432.61	Calculated Property
η	0.0006906	Pa×s	458.00	Calculated Property
η	0.0005875	Pa×s	483.40	Calculated Property
η	0.0005080	Pa×s	508.79	Calculated Property
η	0.0004453	Pa×s	534.18	Calculated Property
η	0.0003950	Pa×s	559.57	Calculated Property
η	0.0003541	Pa×s	584.96	Calculated Property

Similar Compounds

Find more compounds similar to 2-(1-Naphthyl)ethyl bromide.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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