Chemical Properties of 2-Bromo-2-methylhexane (CAS ---)

InChI

InChI=1S/C7H15Br/c1-4-5-6-7(2,3)8/h4-6H2,1-3H3

InChI Key

FVGJIAVGOPDNHY-UHFFFAOYSA-N

Formula

C7H15Br

SMILES

CCCCC(C)(C)Br

Molecular Weight¹

179.10

CAS

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• 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).
• 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	0.3876		Relay (1.0) Calculated Property
ΔfG°	25.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-181.86	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.76	kJ/mol	Joback Calculated Property
ΔvapH°	44.26	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.91		Relay (1.0) Calculated Property
logPoct/wat	3.350		Crippen Calculated Property
McVol	126.990	ml/mol	McGowan Calculated Property
Pc	3079.57	kPa	Joback Calculated Property
Inp	[942.00; 942.00]
Inp	942.00		NIST
Inp	942.00		NIST
Tboil	419.21	K	Relay (1.0) Calculated Property
Tc	617.14	K	Relay (1.0) Calculated Property
Tfus	177.67	K	Relay (1.0) Calculated Property
Vc	0.473	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Ionization energy for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[166.51; 391.00]	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			-1.97570e+01
Coefficient B			8.32860e-01
Coefficient C			-6.00200e-04
Coefficient D			1.78100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	166.51	J/mol×K	273.00	Calculated Property
Cp,gas	207.66	J/mol×K	353.78	Calculated Property
Cp,gas	243.44	J/mol×K	434.56	Calculated Property
Cp,gas	274.42	J/mol×K	515.33	Calculated Property
Cp,gas	301.17	J/mol×K	596.11	Calculated Property
Cp,gas	324.23	J/mol×K	676.89	Calculated Property
Cp,gas	344.19	J/mol×K	757.67	Calculated Property
Cp,gas	361.59	J/mol×K	838.44	Calculated Property
Cp,gas	377.01	J/mol×K	919.22	Calculated Property
Cp,gas	391.00	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0065777; 0.0003223]	Pa×s	[230.87; 432.15]	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			-1.14991e+01
Coefficient B			1.49488e+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.			230.87
Temperature range, max.			432.15
η	0.0065777	Pa×s	230.87	Calculated Property
η	0.0037130	Pa×s	253.23	Calculated Property
η	0.0022998	Pa×s	275.60	Calculated Property
η	0.0015306	Pa×s	297.96	Calculated Property
η	0.0010783	Pa×s	320.33	Calculated Property
η	0.0007952	Pa×s	342.69	Calculated Property
η	0.0006087	Pa×s	365.06	Calculated Property
η	0.0004806	Pa×s	387.42	Calculated Property
η	0.0003893	Pa×s	409.79	Calculated Property
η	0.0003223	Pa×s	432.15	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[325.64; 472.64]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.43471e+01
Coefficient B			-3.71705e+03
Coefficient C			-6.12600e+01
Temperature range, min.			325.64
Temperature range, max.			472.64
Pvap	1.33	kPa	325.64	Calculated Property
Pvap	3.02	kPa	341.97	Calculated Property
Pvap	6.26	kPa	358.31	Calculated Property
Pvap	12.01	kPa	374.64	Calculated Property
Pvap	21.62	kPa	390.97	Calculated Property
Pvap	36.80	kPa	407.31	Calculated Property
Pvap	59.73	kPa	423.64	Calculated Property
Pvap	92.96	kPa	439.97	Calculated Property
Pvap	139.48	kPa	456.31	Calculated Property
Pvap	202.66	kPa	472.64	Calculated Property

Similar Compounds

Find more compounds similar to 2-Bromo-2-methylhexane.

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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