Chemical Properties of Octane, 1,2-dibromo- (CAS 6269-92-7)

InChI

InChI=1S/C8H16Br2/c1-2-3-4-5-6-8(10)7-9/h8H,2-7H2,1H3

InChI Key

BJJLJKYBNCPTQS-UHFFFAOYSA-N

Formula

C8H16Br2

SMILES

CCCCCCC(Br)CBr

Molecular Weight¹

272.02

CAS

6269-92-7

Other Names

• 1,2-Dibromooctane

• 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.
• 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	0.5864		Relay (1.0) Calculated Property
ΔfG°	42.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-180.26	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.52	kJ/mol	Joback Calculated Property
ΔvapH°	61.91	kJ/mol	Relay (1.0) Calculated Property
IE	9.94	eV	Relay (1.0) Calculated Property
log10WS	-4.96		Relay (1.0) Calculated Property
logPoct/wat	4.115		Crippen Calculated Property
McVol	158.580	ml/mol	McGowan Calculated Property
Pc	2953.69	kPa	Joback Calculated Property
Inp	[1335.00; 1335.00]
Inp	1335.00		NIST
Inp	1335.00		NIST
Ip	[1226.00; 1226.00]
Ip	1226.00		NIST
Ip	1226.00		NIST
Tboil	494.08	K	Relay (1.0) Calculated Property
Tc	708.22	K	Relay (1.0) Calculated Property
Tfus	240.12	K	Relay (1.0) Calculated Property
Vc	0.577	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[202.85; 450.74]	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			1.03160e+01
Coefficient B			8.46120e-01
Coefficient C			-5.57400e-04
Coefficient D			1.51700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	202.85	J/mol×K	273.00	Calculated Property
Cp,gas	246.61	J/mol×K	353.78	Calculated Property
Cp,gas	285.19	J/mol×K	434.56	Calculated Property
Cp,gas	319.08	J/mol×K	515.33	Calculated Property
Cp,gas	348.76	J/mol×K	596.11	Calculated Property
Cp,gas	374.70	J/mol×K	676.89	Calculated Property
Cp,gas	397.39	J/mol×K	757.67	Calculated Property
Cp,gas	417.31	J/mol×K	838.44	Calculated Property
Cp,gas	434.93	J/mol×K	919.22	Calculated Property
Cp,gas	450.74	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0039870; 0.0003159]	Pa×s	[284.52; 500.60]	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			-1.13981e+01
Coefficient B			1.67110e+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.			284.52
Temperature range, max.			500.60
η	0.0039870	Pa×s	284.52	Calculated Property
η	0.0025244	Pa×s	308.53	Calculated Property
η	0.0017073	Pa×s	332.54	Calculated Property
η	0.0012172	Pa×s	356.55	Calculated Property
η	0.0009056	Pa×s	380.56	Calculated Property
η	0.0006979	Pa×s	404.57	Calculated Property
η	0.0005537	Pa×s	428.57	Calculated Property
η	0.0004502	Pa×s	452.58	Calculated Property
η	0.0003738	Pa×s	476.59	Calculated Property
η	0.0003159	Pa×s	500.60	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[394.52; 543.59]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.57364e+01
Coefficient B			-4.77871e+03
Coefficient C			-8.51960e+01
Temperature range, min.			394.52
Temperature range, max.			543.59
Pvap	1.33	kPa	394.52	Calculated Property
Pvap	2.92	kPa	411.08	Calculated Property
Pvap	5.94	kPa	427.65	Calculated Property
Pvap	11.31	kPa	444.21	Calculated Property
Pvap	20.34	kPa	460.77	Calculated Property
Pvap	34.82	kPa	477.34	Calculated Property
Pvap	57.06	kPa	493.90	Calculated Property
Pvap	89.97	kPa	510.46	Calculated Property
Pvap	137.11	kPa	527.03	Calculated Property
Pvap	202.67	kPa	543.59	Calculated Property

Similar Compounds

Find more compounds similar to Octane, 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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