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_p : 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°	60.61	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
Ip	[1763.00; 1807.00]
Ip	1764.00		NIST
Ip	1807.00		NIST
Ip	1763.00		NIST
Tboil	[516.00; 516.20]	K
Tboil	516.20	K	NIST
Tboil	516.00	K	NIST
Tc	686.68	K	Relay (1.0) Calculated Property
Tfus	271.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.482	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
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
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
Cp,gas	[160.74; 347.02]	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			1.38160e+01
Coefficient B			6.50200e-01
Coefficient C			-4.45400e-04
Coefficient D			1.28400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	160.74	J/mol×K	273.00	Calculated Property
Cp,gas	193.78	J/mol×K	353.78	Calculated Property
Cp,gas	222.79	J/mol×K	434.56	Calculated Property
Cp,gas	248.17	J/mol×K	515.33	Calculated Property
Cp,gas	270.33	J/mol×K	596.11	Calculated Property
Cp,gas	289.68	J/mol×K	676.89	Calculated Property
Cp,gas	306.61	J/mol×K	757.67	Calculated Property
Cp,gas	321.54	J/mol×K	838.44	Calculated Property
Cp,gas	334.88	J/mol×K	919.22	Calculated Property
Cp,gas	347.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0035318; 0.0003717]	Pa×s	[271.15; 469.54]	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			-1.09750e+01
Coefficient B			1.44496e+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.			271.15
Temperature range, max.			469.54
η	0.0035318	Pa×s	271.15	Calculated Property
η	0.0023659	Pa×s	293.19	Calculated Property
η	0.0016762	Pa×s	315.24	Calculated Property
η	0.0012423	Pa×s	337.28	Calculated Property
η	0.0009552	Pa×s	359.32	Calculated Property
η	0.0007571	Pa×s	381.36	Calculated Property
η	0.0006155	Pa×s	403.41	Calculated Property
η	0.0005113	Pa×s	425.45	Calculated Property
η	0.0004325	Pa×s	447.49	Calculated Property
η	0.0003717	Pa×s	469.54	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[364.12; 556.67]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.