Chemical Properties of Hexane, 2-bromo- (CAS 3377-86-4)

InChI

InChI=1S/C6H13Br/c1-3-4-5-6(2)7/h6H,3-5H2,1-2H3

InChI Key

NEBYCXAKZCQWAW-UHFFFAOYSA-N

Formula

C6H13Br

SMILES

CCCCC(C)Br

Molecular Weight¹

165.07

CAS

3377-86-4

Other Names

• (dl) 2-bromohexane
• 2-Bromohexane

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : 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

Property	Value	Unit	Source
ω	0.3926		Relay (1.0) Calculated Property
ΔfG°	11.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-154.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.06	kJ/mol	Joback Calculated Property
ΔvapH°	43.71	kJ/mol	Relay (1.0) Calculated Property
IE	9.87	eV	Relay (1.0) Calculated Property
log10WS	-3.45		Relay (1.0) Calculated Property
logPoct/wat	2.960		Crippen Calculated Property
McVol	112.900	ml/mol	McGowan Calculated Property
Pc	3392.03	kPa	Joback Calculated Property
Inp	[934.00; 952.00]
Inp	941.00		NIST
Inp	952.00		NIST
Inp	934.00		NIST
I	[1069.00; 1091.00]
I	1077.00		NIST
I	1091.00		NIST
I	1069.00		NIST
Tboil	417.12	K	Relay (1.0) Calculated Property
Tc	606.70	K	Relay (1.0) Calculated Property
Tfus	178.16	K	Relay (1.0) Calculated Property
Vc	0.426	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[146.44; 338.48]	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			3.94300e+00
Coefficient B			6.17940e-01
Coefficient C			-3.77200e-04
Coefficient D			9.38000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	146.44	J/mol×K	273.00	Calculated Property
Cp,gas	179.50	J/mol×K	353.78	Calculated Property
Cp,gas	208.94	J/mol×K	434.56	Calculated Property
Cp,gas	235.05	J/mol×K	515.33	Calculated Property
Cp,gas	258.14	J/mol×K	596.11	Calculated Property
Cp,gas	278.49	J/mol×K	676.89	Calculated Property
Cp,gas	296.40	J/mol×K	757.67	Calculated Property
Cp,gas	312.17	J/mol×K	838.44	Calculated Property
Cp,gas	326.10	J/mol×K	919.22	Calculated Property
Cp,gas	338.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0063698; 0.0003082]	Pa×s	[202.18; 413.56]	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			-1.09816e+01
Coefficient B			1.19800e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			202.18
Temperature range, max.			413.56
η	0.0063698	Pa×s	202.18	Calculated Property
η	0.0034379	Pa×s	225.67	Calculated Property
η	0.0020843	Pa×s	249.15	Calculated Property
η	0.0013775	Pa×s	272.64	Calculated Property
η	0.0009721	Pa×s	296.12	Calculated Property
η	0.0007221	Pa×s	319.61	Calculated Property
η	0.0005587	Pa×s	343.10	Calculated Property
η	0.0004467	Pa×s	366.58	Calculated Property
η	0.0003669	Pa×s	390.07	Calculated Property
η	0.0003082	Pa×s	413.56	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[313.64; 446.33]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.50246e+01
Coefficient B			-3.78078e+03
Coefficient C			-5.70900e+01
Temperature range, min.			313.64
Temperature range, max.			446.33
Pvap	1.33	kPa	313.64	Calculated Property
Pvap	2.97	kPa	328.38	Calculated Property
Pvap	6.09	kPa	343.13	Calculated Property
Pvap	11.64	kPa	357.87	Calculated Property
Pvap	20.95	kPa	372.61	Calculated Property
Pvap	35.76	kPa	387.36	Calculated Property
Pvap	58.33	kPa	402.10	Calculated Property
Pvap	91.40	kPa	416.84	Calculated Property
Pvap	138.24	kPa	431.59	Calculated Property
Pvap	202.63	kPa	446.33	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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