Chemical Properties of 3-Bromooctane (CAS 999-64-4)

InChI

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

InChI Key

OELHQHILWOIUSL-UHFFFAOYSA-N

Formula

C8H17Br

SMILES

CCCCCC(Br)CC

Molecular Weight¹

193.12

CAS

999-64-4

Other Names

• Octane, 3-bromo-

• 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.
• 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	0.4649		Relay (1.0) Calculated Property
ΔfG°	28.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-186.46	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.24	kJ/mol	Joback Calculated Property
ΔvapH°	49.97	kJ/mol	Relay (1.0) Calculated Property
IE	9.66	eV	Relay (1.0) Calculated Property
log10WS	-4.42		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	[1053.00; 1053.00]
Inp	1053.00		NIST
Inp	1053.00		NIST
Tboil	451.60	K	Relay (1.0) Calculated Property
Tc	643.83	K	Relay (1.0) Calculated Property
Tfus	195.29	K	Relay (1.0) Calculated Property
Vc	0.525	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[277.18; 348.69]	J/mol×K	[448.16; 633.14]
Cp,gas	277.18	J/mol×K	448.16	Joback Calculated Property
Cp,gas	290.54	J/mol×K	478.99	Joback Calculated Property
Cp,gas	303.29	J/mol×K	509.82	Joback Calculated Property
Cp,gas	315.46	J/mol×K	540.65	Joback Calculated Property
Cp,gas	327.07	J/mol×K	571.48	Joback Calculated Property
Cp,gas	338.14	J/mol×K	602.31	Joback Calculated Property
Cp,gas	348.69	J/mol×K	633.14	Joback Calculated Property
η	[0.0002948; 0.0063866]	Pa×s	[224.72; 448.16]
η	0.0063866	Pa×s	224.72	Joback Calculated Property
η	0.0026570	Pa×s	261.96	Joback Calculated Property
η	0.0013751	Pa×s	299.20	Joback Calculated Property
η	0.0008234	Pa×s	336.44	Joback Calculated Property
η	0.0005461	Pa×s	373.68	Joback Calculated Property
η	0.0003902	Pa×s	410.92	Joback Calculated Property
η	0.0002948	Pa×s	448.16	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[349.32; 493.06]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
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 3-Bromooctane.

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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