Chemical Properties of Hexane, 3-bromo- (CAS 3377-87-5)

InChI

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

InChI Key

IOZOJWNUKLCDML-UHFFFAOYSA-N

Formula

C6H13Br

SMILES

CCCC(Br)CC

Molecular Weight¹

165.07

CAS

3377-87-5

Other Names

• 3-Bromohexane

• 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).
• 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
ΔfG°	11.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-146.12	kJ/mol	Joback Calculated Property
ΔfusH°	13.06	kJ/mol	Joback Calculated Property
ΔvapH°	35.00	kJ/mol	Joback Calculated Property
log10WS	-2.88		Crippen 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	[943.00; 953.00]
Inp	943.00		NIST
Inp	951.00		NIST
Inp	953.00		NIST
Inp	943.00		NIST
I	[1059.00; 1073.00]
I	1073.00		NIST
I	1059.00		NIST
I	1069.00		NIST
Tboil	[415.00; 415.00]	K
Tboil	415.00	K	NIST
Tboil	415.00 ± 2.00	K	NIST
Tc	590.50	K	Joback Calculated Property
Tfus	202.18	K	Joback Calculated Property
Vc	0.427	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[197.64; 256.62]	J/mol×K	[402.40; 590.50]
Cp,gas	197.64	J/mol×K	402.40	Joback Calculated Property
Cp,gas	208.66	J/mol×K	433.75	Joback Calculated Property
Cp,gas	219.19	J/mol×K	465.10	Joback Calculated Property
Cp,gas	229.23	J/mol×K	496.45	Joback Calculated Property
Cp,gas	238.81	J/mol×K	527.80	Joback Calculated Property
Cp,gas	247.93	J/mol×K	559.15	Joback Calculated Property
Cp,gas	256.62	J/mol×K	590.50	Joback Calculated Property
η	[0.0003340; 0.0063698]	Pa×s	[202.18; 402.40]
η	0.0063698	Pa×s	202.18	Joback Calculated Property
η	0.0027514	Pa×s	235.55	Joback Calculated Property
η	0.0014638	Pa×s	268.92	Joback Calculated Property
η	0.0008951	Pa×s	302.29	Joback Calculated Property
η	0.0006036	Pa×s	335.66	Joback Calculated Property
η	0.0004371	Pa×s	369.03	Joback Calculated Property
η	0.0003340	Pa×s	402.40	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[311.56; 439.88]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.53025e+01
Coefficient B			-3.83170e+03
Coefficient C			-5.63670e+01
Temperature range, min.			311.56
Temperature range, max.			439.88
Pvap	1.33	kPa	311.56	Calculated Property
Pvap	2.95	kPa	325.82	Calculated Property
Pvap	6.03	kPa	340.08	Calculated Property
Pvap	11.51	kPa	354.33	Calculated Property
Pvap	20.70	kPa	368.59	Calculated Property
Pvap	35.38	kPa	382.85	Calculated Property
Pvap	57.82	kPa	397.11	Calculated Property
Pvap	90.82	kPa	411.36	Calculated Property
Pvap	137.78	kPa	425.62	Calculated Property
Pvap	202.65	kPa	439.88	Calculated Property

Similar Compounds

Find more compounds similar to Hexane, 3-bromo-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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