Chemical Properties of Pentane, 2-bromo-4-methyl- (CAS 30310-22-6)

InChI

InChI=1S/C6H13Br/c1-5(2)4-6(3)7/h5-6H,4H2,1-3H3

InChI Key

IUXIOXCOPJFKMQ-UHFFFAOYSA-N

Formula

C6H13Br

SMILES

CC(C)CC(C)Br

Molecular Weight¹

165.07

CAS

30310-22-6

Other Names

• 2-Bromo-4-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).
• 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.
• 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	0.3627		Relay (1.0) Calculated Property
ΔfG°	9.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-167.31	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.53	kJ/mol	Joback Calculated Property
ΔvapH°	41.78	kJ/mol	Relay (1.0) Calculated Property
IE	9.81	eV	Relay (1.0) Calculated Property
log10WS	-3.43		Relay (1.0) Calculated Property
logPoct/wat	2.816		Crippen Calculated Property
McVol	112.900	ml/mol	McGowan Calculated Property
Pc	3423.86	kPa	Joback Calculated Property
Inp	[917.00; 950.00]
Inp	935.00		NIST
Inp	950.00		NIST
Inp	917.00		NIST
Inp	940.00		NIST
Inp	940.00		NIST
Inp	935.00		NIST
Ip	[1003.00; 1037.00]
Ip	1037.00		NIST
Ip	1003.00		NIST
Ip	1037.00		NIST
Tboil	404.50 ± 1.50	K	NIST
Tc	598.24	K	Relay (1.0) Calculated Property
Tfus	[178.60; 179.15]	K
Tfus	179.15 ± 1.50	K	NIST
Tfus	178.60 ± 1.50	K	NIST
Vc	0.411	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[146.12; 339.02]	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			2.26100e+00
Coefficient B			6.23860e-01
Coefficient C			-3.80400e-04
Coefficient D			9.33000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	146.12	J/mol×K	273.00	Calculated Property
Cp,gas	179.49	J/mol×K	353.78	Calculated Property
Cp,gas	209.18	J/mol×K	434.56	Calculated Property
Cp,gas	235.50	J/mol×K	515.33	Calculated Property
Cp,gas	258.74	J/mol×K	596.11	Calculated Property
Cp,gas	279.19	J/mol×K	676.89	Calculated Property
Cp,gas	297.15	J/mol×K	757.67	Calculated Property
Cp,gas	312.91	J/mol×K	838.44	Calculated Property
Cp,gas	326.77	J/mol×K	919.22	Calculated Property
Cp,gas	339.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0148946; 0.0002894]	Pa×s	[178.88; 416.42]	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			-1.11156e+01
Coefficient B			1.23582e+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.			178.88
Temperature range, max.			416.42
η	0.0148946	Pa×s	178.88	Calculated Property
η	0.0061266	Pa×s	205.27	Calculated Property
η	0.0030855	Pa×s	231.66	Calculated Property
η	0.0017880	Pa×s	258.06	Calculated Property
η	0.0011465	Pa×s	284.45	Calculated Property
η	0.0007928	Pa×s	310.84	Calculated Property
η	0.0005808	Pa×s	337.24	Calculated Property
η	0.0004452	Pa×s	363.63	Calculated Property
η	0.0003537	Pa×s	390.02	Calculated Property
η	0.0002894	Pa×s	416.42	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[303.32; 428.83]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.53110e+01
Coefficient B			-3.75310e+03
Coefficient C			-5.35040e+01
Temperature range, min.			303.32
Temperature range, max.			428.83
Pvap	1.33	kPa	303.32	Calculated Property
Pvap	2.95	kPa	317.27	Calculated Property
Pvap	6.03	kPa	331.21	Calculated Property
Pvap	11.50	kPa	345.16	Calculated Property
Pvap	20.69	kPa	359.10	Calculated Property
Pvap	35.37	kPa	373.05	Calculated Property
Pvap	57.80	kPa	386.99	Calculated Property
Pvap	90.81	kPa	400.94	Calculated Property
Pvap	137.77	kPa	414.88	Calculated Property
Pvap	202.65	kPa	428.83	Calculated Property

Similar Compounds

Find more compounds similar to Pentane, 2-bromo-4-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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