Chemical Properties of Hexane, 2-bromo-1-methoxy

InChI

InChI=1S/C7H15BrO/c1-3-4-5-7(8)6-9-2/h7H,3-6H2,1-2H3

InChI Key

NKEKBMXDTJGVMN-UHFFFAOYSA-N

Formula

C7H15BrO

SMILES

CCCCC(Br)COC

Molecular Weight¹

195.10

• 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).
• I_np : Non-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

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[183.05; 408.57]	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			2.85340e+01
Coefficient B			6.49740e-01
Coefficient C			-3.20600e-04
Coefficient D			5.09000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	183.05	J/mol×K	273.00	Calculated Property
Cp,gas	220.53	J/mol×K	353.78	Calculated Property
Cp,gas	254.52	J/mol×K	434.56	Calculated Property
Cp,gas	285.19	J/mol×K	515.33	Calculated Property
Cp,gas	312.71	J/mol×K	596.11	Calculated Property
Cp,gas	337.23	J/mol×K	676.89	Calculated Property
Cp,gas	358.92	J/mol×K	757.67	Calculated Property
Cp,gas	377.93	J/mol×K	838.44	Calculated Property
Cp,gas	394.43	J/mol×K	919.22	Calculated Property
Cp,gas	408.57	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0045222; 0.0002711]	Pa×s	[235.68; 443.81]	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			-1.13995e+01
Coefficient B			1.41425e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			235.68
Temperature range, max.			443.81
η	0.0045222	Pa×s	235.68	Calculated Property
η	0.0026453	Pa×s	258.81	Calculated Property
η	0.0016897	Pa×s	281.93	Calculated Property
η	0.0011552	Pa×s	305.06	Calculated Property
η	0.0008333	Pa×s	328.18	Calculated Property
η	0.0006275	Pa×s	351.31	Calculated Property
η	0.0004893	Pa×s	374.43	Calculated Property
η	0.0003928	Pa×s	397.56	Calculated Property
η	0.0003230	Pa×s	420.69	Calculated Property
η	0.0002711	Pa×s	443.81	Calculated Property

Similar Compounds

Find more compounds similar to Hexane, 2-bromo-1-methoxy.

Sources

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

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