Chemical Properties of Hexane, 1,2-dibromo- (CAS 624-20-4)

InChI

InChI=1S/C6H12Br2/c1-2-3-4-6(8)5-7/h6H,2-5H2,1H3

InChI Key

NUUUANNAZVEWHM-UHFFFAOYSA-N

Formula

C6H12Br2

SMILES

CCCCC(Br)CBr

Molecular Weight¹

243.97

CAS

624-20-4

Other Names

• 1,2-Dibromohexane

• 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).
• 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.
• 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	0.5148		Relay (1.0) Calculated Property
ΔfG°	25.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-135.88	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.34	kJ/mol	Joback Calculated Property
ΔvapH°	56.50 ± 2.00	kJ/mol	NIST
IE	10.02	eV	Relay (1.0) Calculated Property
log10WS	-3.83		Relay (1.0) Calculated Property
logPoct/wat	3.335		Crippen Calculated Property
McVol	130.400	ml/mol	McGowan Calculated Property
Pc	3682.02	kPa	Joback Calculated Property
Inp	[1129.00; 1135.00]
Inp	1129.00		NIST
Inp	1129.00		NIST
Inp	1135.00		NIST
Inp	1135.00		NIST
Tboil	360.15 ± 0.50	K	NIST
Tc	668.77	K	Relay (1.0) Calculated Property
Tfus	225.58	K	Relay (1.0) Calculated Property
Vc	0.464	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[234.23; 289.89]	J/mol×K	[468.56; 674.72]
Cp,gas	234.23	J/mol×K	468.56	Joback Calculated Property
Cp,gas	244.92	J/mol×K	502.92	Joback Calculated Property
Cp,gas	254.99	J/mol×K	537.28	Joback Calculated Property
Cp,gas	264.50	J/mol×K	571.64	Joback Calculated Property
Cp,gas	273.46	J/mol×K	606.00	Joback Calculated Property
Cp,gas	281.92	J/mol×K	640.36	Joback Calculated Property
Cp,gas	289.89	J/mol×K	674.72	Joback Calculated Property
η	[0.0003546; 0.0043004]	Pa×s	[261.98; 468.56]
η	0.0043004	Pa×s	261.98	Joback Calculated Property
η	0.0022284	Pa×s	296.41	Joback Calculated Property
η	0.0013240	Pa×s	330.84	Joback Calculated Property
η	0.0008678	Pa×s	365.27	Joback Calculated Property
η	0.0006117	Pa×s	399.70	Joback Calculated Property
η	0.0004558	Pa×s	434.13	Joback Calculated Property
η	0.0003546	Pa×s	468.56	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[360.92; 509.50]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.50293e+01
Coefficient B			-4.23677e+03
Coefficient C			-7.35200e+01
Temperature range, min.			360.92
Temperature range, max.			509.50
Pvap	1.33	kPa	360.92	Calculated Property
Pvap	2.97	kPa	377.43	Calculated Property
Pvap	6.09	kPa	393.94	Calculated Property
Pvap	11.64	kPa	410.45	Calculated Property
Pvap	20.95	kPa	426.96	Calculated Property
Pvap	35.76	kPa	443.46	Calculated Property
Pvap	58.33	kPa	459.97	Calculated Property
Pvap	91.40	kPa	476.48	Calculated Property
Pvap	138.24	kPa	492.99	Calculated Property
Pvap	202.65	kPa	509.50	Calculated Property

Similar Compounds

Find more compounds similar to Hexane, 1,2-dibromo-.

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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