Chemical Properties of Pentane, 2-bromo-2-methyl- (CAS 4283-80-1)

InChI

InChI=1S/C6H13Br/c1-4-5-6(2,3)7/h4-5H2,1-3H3

InChI Key

JXHHVVMPTVKBGI-UHFFFAOYSA-N

Formula

C6H13Br

SMILES

CCCC(C)(C)Br

Molecular Weight¹

165.07

CAS

4283-80-1

Other Names

• 2-Bromo-2-methylpentane

• 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 : 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	0.3363		Relay (1.0) Calculated Property
ΔfG°	16.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-162.65	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.17	kJ/mol	Joback Calculated Property
ΔvapH°	37.50	kJ/mol	Relay (1.0) Calculated Property
IE	9.82	eV	Relay (1.0) Calculated Property
log10WS	-3.33		Relay (1.0) Calculated Property
logPoct/wat	2.960		Crippen Calculated Property
McVol	112.900	ml/mol	McGowan Calculated Property
Pc	3435.91	kPa	Joback Calculated Property
Inp	[884.00; 897.00]
Inp	890.00		NIST
Inp	897.00		NIST
Inp	884.00		NIST
Inp	890.00		NIST
I	[997.00; 1028.00]
I	1018.00		NIST
I	1028.00		NIST
I	997.00		NIST
Tboil	396.96	K	Relay (1.0) Calculated Property
Tc	590.36	K	Relay (1.0) Calculated Property
Tfus	177.54	K	Relay (1.0) Calculated Property
Vc	0.412	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[199.46; 262.20]	J/mol×K	[399.61; 595.92]
Cp,gas	199.46	J/mol×K	399.61	Joback Calculated Property
Cp,gas	211.57	J/mol×K	432.33	Joback Calculated Property
Cp,gas	222.97	J/mol×K	465.05	Joback Calculated Property
Cp,gas	233.70	J/mol×K	497.77	Joback Calculated Property
Cp,gas	243.79	J/mol×K	530.48	Joback Calculated Property
Cp,gas	253.28	J/mol×K	563.20	Joback Calculated Property
Cp,gas	262.20	J/mol×K	595.92	Joback Calculated Property
η	[0.0003796; 0.0067171]	Pa×s	[219.60; 399.61]
η	0.0067171	Pa×s	219.60	Joback Calculated Property
η	0.0031204	Pa×s	249.60	Joback Calculated Property
η	0.0017088	Pa×s	279.60	Joback Calculated Property
η	0.0010517	Pa×s	309.61	Joback Calculated Property
η	0.0007052	Pa×s	339.61	Joback Calculated Property
η	0.0005045	Pa×s	369.61	Joback Calculated Property
η	0.0003796	Pa×s	399.61	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[303.32; 450.16]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.38583e+01
Coefficient B			-3.39019e+03
Coefficient C			-5.35040e+01
Temperature range, min.			303.32
Temperature range, max.			450.16
Pvap	1.33	kPa	303.32	Calculated Property
Pvap	3.06	kPa	319.64	Calculated Property
Pvap	6.39	kPa	335.95	Calculated Property
Pvap	12.32	kPa	352.27	Calculated Property
Pvap	22.16	kPa	368.58	Calculated Property
Pvap	37.65	kPa	384.90	Calculated Property
Pvap	60.84	kPa	401.21	Calculated Property
Pvap	94.18	kPa	417.53	Calculated Property
Pvap	140.44	kPa	433.84	Calculated Property
Pvap	202.63	kPa	450.16	Calculated Property

Similar Compounds

Find more compounds similar to Pentane, 2-bromo-2-methyl-.

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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