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

InChI

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

InChI Key

CCRWCKSQBQNHJC-UHFFFAOYSA-N

Formula

C7H15BrO

SMILES

CCCCC(CBr)OC

Molecular Weight¹

195.10

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them 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, 1-bromo-2-methoxy.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.