Chemical Properties of 1,6-DIBROMOHEXANE (CAS 629-03-8)

InChI

InChI=1S/C6H12Br2/c7-5-3-1-2-4-6-8/h1-6H2

InChI Key

SGRHVVLXEBNBDV-UHFFFAOYSA-N

Formula

C6H12Br2

SMILES

BrCCCCCCBr

Molecular Weight¹

243.97

CAS

629-03-8

Other Names

• 1,6-Dibromo-n-hexane
• 1,6-Dibromohexan
• DBH
• Dibromo-1,6 hexane
• hexamethylene dibromide
• hexane, 1,6-dibromo-

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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).
• n₀ : Refractive Index.
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• γ : Surface Tension (N/m).
• 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	0.5842		Relay (1.0) Calculated Property
ΔfG°	28.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-140.47	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.87	kJ/mol	Joback Calculated Property
ΔvapH°	59.75	kJ/mol	Relay (1.0) Calculated Property
IE	9.89	eV	Relay (1.0) Calculated Property
log10WS	-4.28		Relay (1.0) Calculated Property
logPoct/wat	3.337		Crippen Calculated Property
McVol	130.400	ml/mol	McGowan Calculated Property
Pc	3646.53	kPa	Joback Calculated Property
Inp	[1299.00; 1333.00]
Inp	1312.00		NIST
Inp	1333.00		NIST
Inp	1299.00		NIST
Inp	1310.00		NIST
Inp	1312.00		NIST
I	[1763.00; 1807.00]
I	1764.00		NIST
I	1807.00		NIST
I	1763.00		NIST
Tboil	[516.00; 516.20]	K
Tboil	516.20	K	NIST
Tboil	516.00	K	NIST
Tc	683.73	K	Relay (1.0) Calculated Property
Tfus	270.09	K	Relay (1.0) Calculated Property
Vc	0.479	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[234.04; 288.24]	J/mol×K	[469.00; 670.48]
Cp,gas	234.04	J/mol×K	469.00	Joback Calculated Property
Cp,gas	244.39	J/mol×K	502.58	Joback Calculated Property
Cp,gas	254.18	J/mol×K	536.16	Joback Calculated Property
Cp,gas	263.43	J/mol×K	569.74	Joback Calculated Property
Cp,gas	272.17	J/mol×K	603.32	Joback Calculated Property
Cp,gas	280.43	J/mol×K	636.90	Joback Calculated Property
Cp,gas	288.24	J/mol×K	670.48	Joback Calculated Property
Cp,liquid	[244.06; 264.12]	J/mol×K	[285.15; 355.15]
Cp,liquid	244.06	J/mol×K	285.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	244.45	J/mol×K	286.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	244.84	J/mol×K	288.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	245.23	J/mol×K	289.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	245.62	J/mol×K	291.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	246.01	J/mol×K	292.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	246.41	J/mol×K	294.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	246.80	J/mol×K	295.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	247.20	J/mol×K	297.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	247.47	J/mol×K	298.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	247.60	J/mol×K	298.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	248.01	J/mol×K	300.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	248.41	J/mol×K	301.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	248.82	J/mol×K	303.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	249.23	J/mol×K	304.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	249.64	J/mol×K	306.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	250.05	J/mol×K	307.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	250.47	J/mol×K	309.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	250.88	J/mol×K	310.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	251.30	J/mol×K	312.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	251.72	J/mol×K	313.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	252.15	J/mol×K	315.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	252.57	J/mol×K	316.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	253.00	J/mol×K	318.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	253.42	J/mol×K	319.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	253.85	J/mol×K	321.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	254.29	J/mol×K	322.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	254.72	J/mol×K	324.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	255.16	J/mol×K	325.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	255.59	J/mol×K	327.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	256.03	J/mol×K	328.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	256.48	J/mol×K	330.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	256.92	J/mol×K	331.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	257.37	J/mol×K	333.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	257.81	J/mol×K	334.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	258.26	J/mol×K	336.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	258.71	J/mol×K	337.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	259.17	J/mol×K	339.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	259.62	J/mol×K	340.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	260.08	J/mol×K	342.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	260.54	J/mol×K	343.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	261.00	J/mol×K	345.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	261.46	J/mol×K	346.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	261.93	J/mol×K	348.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	262.40	J/mol×K	349.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	262.86	J/mol×K	351.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	263.34	J/mol×K	352.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	263.81	J/mol×K	354.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	264.12	J/mol×K	355.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
η	[0.0003730; 0.0031571]	Pa×s	[276.98; 469.00]
η	0.0031571	Pa×s	276.98	Joback Calculated Property
η	0.0018391	Pa×s	308.98	Joback Calculated Property
η	0.0011858	Pa×s	340.99	Joback Calculated Property
η	0.0008243	Pa×s	372.99	Joback Calculated Property
η	0.0006069	Pa×s	404.99	Joback Calculated Property
η	0.0004674	Pa×s	437.00	Joback Calculated Property
η	0.0003730	Pa×s	469.00	Joback Calculated Property
n0	1.50600		298.15	Thermodynamic study of (alkyl esters + a,x-alkyl dihalides) II: HE m and V E m for 25 binary mixtures {xCu-1H2u-1CO2C2H5 + (1 - x)a,x-BrCH2(CH2)v-2CH2Br}, where u = 1 to 5, a = 1 and v = x = 2 to 6
γ	[0.04; 0.04]	N/m	[293.15; 313.15]
γ	0.04	N/m	293.15	The additivity of surface and volumetric properties of alpha,omega-dihalogenoalkanes
γ	0.04	N/m	298.15	The additivity of surface and volumetric properties of alpha,omega-dihalogenoalkanes
γ	0.04	N/m	303.15	The additivity of surface and volumetric properties of alpha,omega-dihalogenoalkanes
γ	0.04	N/m	308.15	The additivity of surface and volumetric properties of alpha,omega-dihalogenoalkanes
γ	0.04	N/m	313.15	The additivity of surface and volumetric properties of alpha,omega-dihalogenoalkanes

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[364.12; 556.67]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.28647e+01
Coefficient B			-3.64093e+03
Coefficient C			-7.46320e+01
Temperature range, min.			364.12
Temperature range, max.			556.67
Pvap	1.33	kPa	364.12	Calculated Property
Pvap	3.17	kPa	385.51	Calculated Property
Pvap	6.73	kPa	406.91	Calculated Property
Pvap	13.07	kPa	428.30	Calculated Property
Pvap	23.51	kPa	449.70	Calculated Property
Pvap	39.69	kPa	471.09	Calculated Property
Pvap	63.52	kPa	492.49	Calculated Property
Pvap	97.10	kPa	513.88	Calculated Property
Pvap	142.70	kPa	535.28	Calculated Property
Pvap	202.66	kPa	556.67	Calculated Property

Similar Compounds

Find more compounds similar to 1,6-DIBROMOHEXANE.

Mixtures

• Formic acid, butyl ester + 1,6-DIBROMOHEXANE
• 1,6-DIBROMOHEXANE + Acetic acid, butyl ester
• Propanoic acid, butyl ester + 1,6-DIBROMOHEXANE
• Butanoic acid, butyl ester + 1,6-DIBROMOHEXANE
• Ethyl formate + 1,6-DIBROMOHEXANE
• 1,6-DIBROMOHEXANE + Ethyl Acetate
• Propanoic acid, ethyl ester + 1,6-DIBROMOHEXANE
• 1,6-DIBROMOHEXANE + Butanoic acid, ethyl ester
• Pentanoic acid, ethyl ester + 1,6-DIBROMOHEXANE
• 1,6-DIBROMOHEXANE + Methyl formate
• 1,6-DIBROMOHEXANE + Acetic acid, methyl ester
• 1,6-DIBROMOHEXANE + Methyl propionate
• Butanoic acid, methyl ester + 1,6-DIBROMOHEXANE
• 1,6-DIBROMOHEXANE + Methyl valerate

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Thermodynamic study of (alkyl esters + a,x-alkyl dihalides) II: HE m and V E m for 25 binary mixtures {xCu-1H2u-1CO2C2H5 + (1 - x)a,x-BrCH2(CH2)v-2CH2Br}, where u = 1 to 5, a = 1 and v = x = 2 to 6
• Thermodynamic study of (alkyl esters + alpha,omega-alkyl dihalides) IV: Hex and Vex for 25 binary mixtures {xC(u-1)H(2u-1)CO2CH3 + (1-x)alpha,omega-BrCH2(CH2)(v-2)CH2Br}, where u = 1 to 5, alpha = 1 and v = omega = 2 to 6
• Thermodynamic study of (alkyl esters + alpha,beta-alkyl dihalides) VI.H and V for 20 binary mixtures {xCu-1H2u-1CO2(CH2)3CH3 + (1 - x)alpha,omega-BrCH2(CH2)v-2CH2Br}, where u = 1 to 5, alpha = 1, and v = omega = 2 to 6
• The additivity of surface and volumetric properties of alpha,omega-dihalogenoalkanes
• Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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