Chemical Properties of Butane, 2-bromo-2,3-dimethyl- (CAS 594-52-5)

InChI

InChI=1S/C6H13Br/c1-5(2)6(3,4)7/h5H,1-4H3

InChI Key

NILGDLGIGRGWRL-UHFFFAOYSA-N

Formula

C6H13Br

SMILES

CC(C)C(C)(C)Br

Molecular Weight¹

165.07

CAS

594-52-5

Other Names

• 2-Bromo-2,3-dimethylbutane

• 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.
• 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
ΔfG°	14.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-154.87	kJ/mol	Joback Calculated Property
ΔfusH°	5.64	kJ/mol	Joback Calculated Property
ΔvapH°	33.70	kJ/mol	Joback Calculated Property
log10WS	-2.64		Crippen Calculated Property
logPoct/wat	2.816		Crippen Calculated Property
McVol	112.900	ml/mol	McGowan Calculated Property
Pc	3468.36	kPa	Joback Calculated Property
Inp	[896.00; 921.00]
Inp	903.00		NIST
Inp	921.00		NIST
Inp	896.00		NIST
Inp	903.00		NIST
I	[1028.00; 1053.00]
I	1035.00		NIST
I	1053.00		NIST
I	1028.00		NIST
I	1035.00		NIST
Tboil	399.17	K	Joback Calculated Property
Tc	600.31	K	Joback Calculated Property
Tfus	204.60	K	Joback Calculated Property
Vc	0.416	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[199.43; 263.97]	J/mol×K	[399.17; 600.31]
Cp,gas	199.43	J/mol×K	399.17	Joback Calculated Property
Cp,gas	211.94	J/mol×K	432.69	Joback Calculated Property
Cp,gas	223.69	J/mol×K	466.22	Joback Calculated Property
Cp,gas	234.74	J/mol×K	499.74	Joback Calculated Property
Cp,gas	245.11	J/mol×K	533.26	Joback Calculated Property
Cp,gas	254.84	J/mol×K	566.79	Joback Calculated Property
Cp,gas	263.97	J/mol×K	600.31	Joback Calculated Property
η	[0.0003664; 0.0112812]	Pa×s	[204.60; 399.17]
η	0.0112812	Pa×s	204.60	Joback Calculated Property
η	0.0043112	Pa×s	237.03	Joback Calculated Property
η	0.0020768	Pa×s	269.46	Joback Calculated Property
η	0.0011704	Pa×s	301.88	Joback Calculated Property
η	0.0007372	Pa×s	334.31	Joback Calculated Property
η	0.0005039	Pa×s	366.74	Joback Calculated Property
η	0.0003664	Pa×s	399.17	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.91; 202.66]	kPa	[298.15; 449.55]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.40255e+01
Coefficient B			-3.44629e+03
Coefficient C			-5.40600e+01
Temperature range, min.			298.15
Temperature range, max.			449.55
Pvap	0.91	kPa	298.15	Calculated Property
Pvap	2.26	kPa	314.97	Calculated Property
Pvap	5.04	kPa	331.79	Calculated Property
Pvap	10.23	kPa	348.62	Calculated Property
Pvap	19.25	kPa	365.44	Calculated Property
Pvap	33.95	kPa	382.26	Calculated Property
Pvap	56.65	kPa	399.08	Calculated Property
Pvap	90.13	kPa	415.91	Calculated Property
Pvap	137.61	kPa	432.73	Calculated Property
Pvap	202.66	kPa	449.55	Calculated Property

Similar Compounds

Find more compounds similar to Butane, 2-bromo-2,3-dimethyl-.

Sources

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

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