Chemical Properties of Hexane, 2-bromo-3-methoxy, threo

InChI

InChI=1S/C7H15BrO/c1-4-5-7(9-3)6(2)8/h6-7H,4-5H2,1-3H3/t6-,7-/m1/s1

InChI Key

SHKMJZCDMYBQGL-BQBZGAKWSA-N

Formula

C7H15BrO

SMILES

CCC[C@@H](OC)[C@@H](C)Br

Molecular Weight¹

195.10

• 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	-293.01	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.31	kJ/mol	Joback Calculated Property
ΔvapH°	50.53	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.585		Crippen Calculated Property
McVol	132.860	ml/mol	McGowan Calculated Property
Inp	[990.00; 990.00]
Inp	990.00		NIST
Inp	990.00		NIST
Tboil	445.91	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	[182.74; 409.11]	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			2.68520e+01
Coefficient B			6.55660e-01
Coefficient C			-3.23800e-04
Coefficient D			5.04000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	182.74	J/mol×K	273.00	Calculated Property
Cp,gas	220.52	J/mol×K	353.78	Calculated Property
Cp,gas	254.76	J/mol×K	434.56	Calculated Property
Cp,gas	285.64	J/mol×K	515.33	Calculated Property
Cp,gas	313.31	J/mol×K	596.11	Calculated Property
Cp,gas	337.93	J/mol×K	676.89	Calculated Property
Cp,gas	359.66	J/mol×K	757.67	Calculated Property
Cp,gas	378.67	J/mol×K	838.44	Calculated Property
Cp,gas	395.09	J/mol×K	919.22	Calculated Property
Cp,gas	409.11	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0070586; 0.0002532]	Pa×s	[220.68; 446.47]	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			-1.15335e+01
Coefficient B			1.45207e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			220.68
Temperature range, max.			446.47
η	0.0070586	Pa×s	220.68	Calculated Property
η	0.0036059	Pa×s	245.77	Calculated Property
η	0.0020861	Pa×s	270.86	Calculated Property
η	0.0013242	Pa×s	295.94	Calculated Property
η	0.0009025	Pa×s	321.03	Calculated Property
η	0.0006502	Pa×s	346.12	Calculated Property
η	0.0004897	Pa×s	371.21	Calculated Property
η	0.0003823	Pa×s	396.30	Calculated Property
η	0.0003073	Pa×s	421.39	Calculated Property
η	0.0002532	Pa×s	446.47	Calculated Property

Similar Compounds

Find more compounds similar to Hexane, 2-bromo-3-methoxy, threo.

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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