Chemical Properties of Octane, 1,8-dibromo- (CAS 4549-32-0)

InChI

InChI=1S/C8H16Br2/c9-7-5-3-1-2-4-6-8-10/h1-8H2

InChI Key

DKEGCUDAFWNSSO-UHFFFAOYSA-N

Formula

C8H16Br2

SMILES

BrCCCCCCCCBr

Molecular Weight¹

272.02

CAS

4549-32-0

Other Names

• 1,8-dibromooctane
• Dibromo-1,8 octane
• octamethylene dibromide

• 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).
• I_np : Non-polar retention indices.
• I_p : 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	0.6532		Relay (1.0) Calculated Property
ΔfG°	45.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-185.48	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.05	kJ/mol	Joback Calculated Property
ΔvapH°	69.41	kJ/mol	Relay (1.0) Calculated Property
IE	9.84	eV	Relay (1.0) Calculated Property
log10WS	-5.36		Relay (1.0) Calculated Property
logPoct/wat	4.117		Crippen Calculated Property
McVol	158.580	ml/mol	McGowan Calculated Property
Pc	2928.17	kPa	Joback Calculated Property
Inp	[1473.30; 1541.00]
Inp	1541.00		NIST
Inp	Outlier 1473.30		NIST
Inp	1519.00		NIST
Inp	1523.00		NIST
Inp	1541.00		NIST
Inp	1523.00		NIST
Ip	[1964.00; 1964.00]
Ip	1964.00		NIST
Ip	1964.00		NIST
Tboil	[543.00; 544.20]	K
Tboil	543.00	K	NIST
Tboil	544.20	K	NIST
Tc	716.28	K	Relay (1.0) Calculated Property
Tfus	288.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.593	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[302.23; 328.58]	J/mol×K	[288.15; 355.15]
Cp,liquid	302.23	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	302.83	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	303.43	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	304.03	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	304.63	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	305.23	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	305.83	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	306.23	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	306.43	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	307.03	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	307.63	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	308.23	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	308.82	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	309.42	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	310.02	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	310.61	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	311.21	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	311.80	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	312.39	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	312.99	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	313.58	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	314.17	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	314.76	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	315.35	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	315.94	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	316.53	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	317.12	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	317.71	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	318.30	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	318.88	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	319.47	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	320.05	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	320.64	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	321.22	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	321.81	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	322.39	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	322.97	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	323.56	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	324.14	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	324.72	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	325.30	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	325.88	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	326.46	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	327.04	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	327.62	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	328.19	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	328.58	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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[203.17; 450.20]	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			1.19980e+01
Coefficient B			8.40200e-01
Coefficient C			-5.54200e-04
Coefficient D			1.52200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	203.17	J/mol×K	273.00	Calculated Property
Cp,gas	246.62	J/mol×K	353.78	Calculated Property
Cp,gas	284.95	J/mol×K	434.56	Calculated Property
Cp,gas	318.63	J/mol×K	515.33	Calculated Property
Cp,gas	348.16	J/mol×K	596.11	Calculated Property
Cp,gas	374.00	J/mol×K	676.89	Calculated Property
Cp,gas	396.64	J/mol×K	757.67	Calculated Property
Cp,gas	416.57	J/mol×K	838.44	Calculated Property
Cp,gas	434.26	J/mol×K	919.22	Calculated Property
Cp,gas	450.20	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0036766; 0.0003409]	Pa×s	[288.65; 497.91]	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			-1.12641e+01
Coefficient B			1.63328e+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.			288.65
Temperature range, max.			497.91
η	0.0036766	Pa×s	288.65	Calculated Property
η	0.0024113	Pa×s	311.90	Calculated Property
η	0.0016768	Pa×s	335.15	Calculated Property
η	0.0012223	Pa×s	358.40	Calculated Property
η	0.0009260	Pa×s	381.66	Calculated Property
η	0.0007242	Pa×s	404.91	Calculated Property
η	0.0005818	Pa×s	428.16	Calculated Property
η	0.0004780	Pa×s	451.41	Calculated Property
η	0.0004003	Pa×s	474.66	Calculated Property
η	0.0003409	Pa×s	497.91	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[399.32; 579.24]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.40362e+01
Coefficient B			-4.29585e+03
Coefficient C			-8.68640e+01
Temperature range, min.			399.32
Temperature range, max.			579.24
Pvap	1.33	kPa	399.32	Calculated Property
Pvap	3.05	kPa	419.31	Calculated Property
Pvap	6.34	kPa	439.30	Calculated Property
Pvap	12.20	kPa	459.29	Calculated Property
Pvap	21.96	kPa	479.28	Calculated Property
Pvap	37.33	kPa	499.28	Calculated Property
Pvap	60.43	kPa	519.27	Calculated Property
Pvap	93.73	kPa	539.26	Calculated Property
Pvap	140.09	kPa	559.25	Calculated Property
Pvap	202.66	kPa	579.24	Calculated Property

Similar Compounds

Find more compounds similar to Octane, 1,8-dibromo-.

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

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