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

InChI

InChI=1S/C6H13BrO/c1-3-4-6(5-7)8-2/h6H,3-5H2,1-2H3

InChI Key

JDAILCRIKVLCFU-UHFFFAOYSA-N

Formula

C6H13BrO

SMILES

CCCC(CBr)OC

Molecular Weight¹

181.07

• 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).
• 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

Property	Value	Unit	Source
ΔfH°gas	-279.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.25	kJ/mol	Joback Calculated Property
ΔvapH°	50.04	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.196		Crippen Calculated Property
McVol	118.770	ml/mol	McGowan Calculated Property
Inp	[936.00; 936.00]
Inp	936.00		NIST
Inp	936.00		NIST
Tboil	429.79	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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	[161.84; 356.98]	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			2.94430e+01
Coefficient B			5.54740e-01
Coefficient C			-2.66200e-04
Coefficient D			3.90000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	161.84	J/mol×K	273.00	Calculated Property
Cp,gas	194.11	J/mol×K	353.78	Calculated Property
Cp,gas	223.44	J/mol×K	434.56	Calculated Property
Cp,gas	249.96	J/mol×K	515.33	Calculated Property
Cp,gas	273.80	J/mol×K	596.11	Calculated Property
Cp,gas	295.07	J/mol×K	676.89	Calculated Property
Cp,gas	313.90	J/mol×K	757.67	Calculated Property
Cp,gas	330.41	J/mol×K	838.44	Calculated Property
Cp,gas	344.73	J/mol×K	919.22	Calculated Property
Cp,gas	356.98	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0045501; 0.0002752]	Pa×s	[224.41; 428.98]	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			-1.12751e+01
Coefficient B			1.32009e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			224.41
Temperature range, max.			428.98
η	0.0045501	Pa×s	224.41	Calculated Property
η	0.0026488	Pa×s	247.14	Calculated Property
η	0.0016891	Pa×s	269.87	Calculated Property
η	0.0011552	Pa×s	292.60	Calculated Property
η	0.0008345	Pa×s	315.33	Calculated Property
η	0.0006297	Pa×s	338.06	Calculated Property
η	0.0004924	Pa×s	360.79	Calculated Property
η	0.0003964	Pa×s	383.52	Calculated Property
η	0.0003270	Pa×s	406.25	Calculated Property
η	0.0002752	Pa×s	428.98	Calculated Property

Similar Compounds

Find more compounds similar to Pentane, 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.
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