Chemical Properties of Octane, 2-bromo- (CAS 557-35-7)

InChI

InChI=1S/C8H17Br/c1-3-4-5-6-7-8(2)9/h8H,3-7H2,1-2H3

InChI Key

FTJHYGJLHCGQHQ-UHFFFAOYSA-N

Formula

C8H17Br

SMILES

CCCCCCC(C)Br

Molecular Weight¹

193.12

CAS

557-35-7

Other Names

• (dl) 2-bromooctane
• 1-Methylheptyl bromide
• 2-Bromooctane
• 2-Bromoooctane
• 2-Octyl bromide
• sec-Octyl Bromide

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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	0.4783		Relay (1.0) Calculated Property
ΔfG°	28.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-199.23	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.24	kJ/mol	Joback Calculated Property
ΔvapH°	52.59	kJ/mol	Relay (1.0) Calculated Property
IE	9.79	eV	Relay (1.0) Calculated Property
log10WS	-4.68		Relay (1.0) Calculated Property
logPoct/wat	3.740		Crippen Calculated Property
McVol	141.080	ml/mol	McGowan Calculated Property
Pc	2744.03	kPa	Joback Calculated Property
Inp	[1093.00; 1093.00]
Inp	1093.00		NIST
Inp	1093.00		NIST
Tboil	460.88	K	Relay (1.0) Calculated Property
Tc	650.28	K	Relay (1.0) Calculated Property
Tfus	210.64	K	Relay (1.0) Calculated Property
Vc	0.537	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[188.86; 441.66]	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			2.12500e+00
Coefficient B			8.07940e-01
Coefficient C			-4.86000e-04
Coefficient D			1.17600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	188.86	J/mol×K	273.00	Calculated Property
Cp,gas	232.34	J/mol×K	353.78	Calculated Property
Cp,gas	271.09	J/mol×K	434.56	Calculated Property
Cp,gas	305.51	J/mol×K	515.33	Calculated Property
Cp,gas	335.96	J/mol×K	596.11	Calculated Property
Cp,gas	362.81	J/mol×K	676.89	Calculated Property
Cp,gas	386.43	J/mol×K	757.67	Calculated Property
Cp,gas	407.20	J/mol×K	838.44	Calculated Property
Cp,gas	425.49	J/mol×K	919.22	Calculated Property
Cp,gas	441.66	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0063866; 0.0003047]	Pa×s	[224.72; 443.39]	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			-1.12226e+01
Coefficient B			1.38632e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			224.72
Temperature range, max.			443.39
η	0.0063866	Pa×s	224.72	Calculated Property
η	0.0034983	Pa×s	249.02	Calculated Property
η	0.0021327	Pa×s	273.31	Calculated Property
η	0.0014095	Pa×s	297.61	Calculated Property
η	0.0009917	Pa×s	321.91	Calculated Property
η	0.0007330	Pa×s	346.21	Calculated Property
η	0.0005637	Pa×s	370.50	Calculated Property
η	0.0004478	Pa×s	394.80	Calculated Property
η	0.0003653	Pa×s	419.10	Calculated Property
η	0.0003047	Pa×s	443.39	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[349.32; 493.06]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.50922e+01
Coefficient B			-4.14278e+03
Coefficient C			-6.94890e+01
Temperature range, min.			349.32
Temperature range, max.			493.06
Pvap	1.33	kPa	349.32	Calculated Property
Pvap	2.97	kPa	365.29	Calculated Property
Pvap	6.08	kPa	381.26	Calculated Property
Pvap	11.61	kPa	397.23	Calculated Property
Pvap	20.89	kPa	413.20	Calculated Property
Pvap	35.67	kPa	429.18	Calculated Property
Pvap	58.21	kPa	445.15	Calculated Property
Pvap	91.27	kPa	461.12	Calculated Property
Pvap	138.15	kPa	477.09	Calculated Property
Pvap	202.67	kPa	493.06	Calculated Property

Similar Compounds

Find more compounds similar to Octane, 2-bromo-.

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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