Chemical Properties of Hexane, 2-bromo-2-methyl (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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Other Names

• 2-Bromo-2-methylhexane

• 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
ΔfG°	25.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-170.23	kJ/mol	Joback Calculated Property
ΔfusH°	11.76	kJ/mol	Joback Calculated Property
ΔvapH°	36.31	kJ/mol	Joback Calculated Property
log10WS	-3.30		Crippen 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	422.49	K	Joback Calculated Property
Tc	617.07	K	Joback Calculated Property
Tfus	230.87	K	Joback Calculated Property
Vc	0.478	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[238.41; 307.48]	J/mol×K	[422.49; 617.07]
Cp,gas	238.41	J/mol×K	422.49	Joback Calculated Property
Cp,gas	251.68	J/mol×K	454.92	Joback Calculated Property
Cp,gas	264.20	J/mol×K	487.35	Joback Calculated Property
Cp,gas	276.00	J/mol×K	519.78	Joback Calculated Property
Cp,gas	287.12	J/mol×K	552.21	Joback Calculated Property
Cp,gas	297.60	J/mol×K	584.64	Joback Calculated Property
Cp,gas	307.48	J/mol×K	617.07	Joback Calculated Property
η	[0.0003489; 0.0065777]	Pa×s	[230.87; 422.49]
η	0.0065777	Pa×s	230.87	Joback Calculated Property
η	0.0029947	Pa×s	262.81	Joback Calculated Property
η	0.0016169	Pa×s	294.74	Joback Calculated Property
η	0.0009848	Pa×s	326.68	Joback Calculated Property
η	0.0006552	Pa×s	358.62	Joback Calculated Property
η	0.0004659	Pa×s	390.55	Joback Calculated Property
η	0.0003489	Pa×s	422.49	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[325.64; 472.64]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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 Hexane, 2-bromo-2-methyl.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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