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

• 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_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	0.3204		Relay (1.0) Calculated Property
ΔfG°	14.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-172.26	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	5.64	kJ/mol	Joback Calculated Property
ΔvapH°	39.55	kJ/mol	Relay (1.0) Calculated Property
IE	9.74	eV	Relay (1.0) Calculated Property
log10WS	-3.25		Relay (1.0) 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
Ip	[1028.00; 1053.00]
Ip	1035.00		NIST
Ip	1053.00		NIST
Ip	1028.00		NIST
Ip	1035.00		NIST
Tboil	399.13	K	Relay (1.0) Calculated Property
Tc	607.60	K	Relay (1.0) Calculated Property
Tfus	214.72	K	Relay (1.0) Calculated Property
Vc	0.403	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[144.98; 339.95]	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			-2.05300e+01
Coefficient B			7.43780e-01
Coefficient C			-5.49000e-04
Coefficient D			1.65700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	144.98	J/mol×K	273.00	Calculated Property
Cp,gas	181.23	J/mol×K	353.78	Calculated Property
Cp,gas	212.61	J/mol×K	434.56	Calculated Property
Cp,gas	239.64	J/mol×K	515.33	Calculated Property
Cp,gas	262.86	J/mol×K	596.11	Calculated Property
Cp,gas	282.78	J/mol×K	676.89	Calculated Property
Cp,gas	299.92	J/mol×K	757.67	Calculated Property
Cp,gas	314.81	J/mol×K	838.44	Calculated Property
Cp,gas	327.98	J/mol×K	919.22	Calculated Property
Cp,gas	339.95	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0112812; 0.0003054]	Pa×s	[204.60; 420.43]	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			-1.15156e+01
Coefficient B			1.43854e+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.			204.60
Temperature range, max.			420.43
η	0.0112812	Pa×s	204.60	Calculated Property
η	0.0053952	Pa×s	228.58	Calculated Property
η	0.0029682	Pa×s	252.56	Calculated Property
η	0.0018113	Pa×s	276.54	Calculated Property
η	0.0011959	Pa×s	300.52	Calculated Property
η	0.0008396	Pa×s	324.50	Calculated Property
η	0.0006189	Pa×s	348.48	Calculated Property
η	0.0004744	Pa×s	372.47	Calculated Property
η	0.0003756	Pa×s	396.45	Calculated Property
η	0.0003054	Pa×s	420.43	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.91; 202.66]	kPa	[298.15; 449.55]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.