Chemical Properties of Butane, 1,2-dibromo- (CAS 533-98-2)

InChI

InChI=1S/C4H8Br2/c1-2-4(6)3-5/h4H,2-3H2,1H3

InChI Key

CZWSZZHGSNZRMW-UHFFFAOYSA-N

Formula

C4H8Br2

SMILES

CCC(Br)CBr

Molecular Weight¹

215.91

CAS

533-98-2

Other Names

• 1,2-DIBROMOBUTANE
• ALPHA-BUTYLENE DIBROMIDE
• «alpha»-Butylene bromide
• «alpha»-Butylene dibromide
• «alpha»-Butylene bromide
• «alpha»-Butylene dibromide

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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).
• 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_boilr : Boiling point at reduced pressure (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
ΔcH°liquid	-2570.10 ± 2.20	kJ/mol	NIST
ΔfG°	9.00	kJ/mol	Joback Calculated Property
ΔfH°gas	[-102.20; -92.93]	kJ/mol
ΔfH°gas	-92.93	kJ/mol	NIST
ΔfH°gas	-102.20 ± 2.40	kJ/mol	NIST
ΔfH°liquid	[-146.90; -140.80]	kJ/mol
ΔfH°liquid	-140.80	kJ/mol	NIST
ΔfH°liquid	-146.90 ± 2.10	kJ/mol	NIST
ΔfusH°	13.16	kJ/mol	Joback Calculated Property
ΔvapH°	[45.60; 47.86]	kJ/mol
ΔvapH°	45.60 ± 0.70	kJ/mol	NIST
ΔvapH°	45.90	kJ/mol	NIST
ΔvapH°	47.86	kJ/mol	NIST
log10WS	-2.47		Crippen Calculated Property
logPoct/wat	2.555		Crippen Calculated Property
McVol	102.220	ml/mol	McGowan Calculated Property
Pc	4717.12	kPa	Joback Calculated Property
Inp	[943.00; 960.00]
Inp	943.00		NIST
Inp	960.00		NIST
Inp	944.00		NIST
Inp	946.00		NIST
Inp	960.00		NIST
Inp	944.00		NIST
Tboil	[433.15; 439.50]	K
Tboil	439.15 ± 1.50	K	NIST
Tboil	439.50 ± 0.50	K	NIST
Tboil	433.15 ± 6.00	K	NIST
Tc	634.29	K	Joback Calculated Property
Tfus	207.70 ± 0.30	K	NIST
Vc	0.378	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[158.15; 199.46]	J/mol×K	[422.80; 634.29]
Cp,gas	158.15	J/mol×K	422.80	Joback Calculated Property
Cp,gas	166.17	J/mol×K	458.05	Joback Calculated Property
Cp,gas	173.70	J/mol×K	493.30	Joback Calculated Property
Cp,gas	180.76	J/mol×K	528.54	Joback Calculated Property
Cp,gas	187.39	J/mol×K	563.79	Joback Calculated Property
Cp,gas	193.62	J/mol×K	599.04	Joback Calculated Property
Cp,gas	199.46	J/mol×K	634.29	Joback Calculated Property
η	[0.0004216; 0.0043966]	Pa×s	[239.44; 422.80]
η	0.0043966	Pa×s	239.44	Joback Calculated Property
η	0.0023844	Pa×s	270.00	Joback Calculated Property
η	0.0014644	Pa×s	300.56	Joback Calculated Property
η	0.0009841	Pa×s	331.12	Joback Calculated Property
η	0.0007073	Pa×s	361.68	Joback Calculated Property
η	0.0005352	Pa×s	392.24	Joback Calculated Property
η	0.0004216	Pa×s	422.80	Joback Calculated Property
ΔvapH	[42.80; 45.19]	kJ/mol	[300.00; 381.50]
ΔvapH	45.19	kJ/mol	300.00	NIST
ΔvapH	45.10	kJ/mol	303.00	NIST
ΔvapH	42.80	kJ/mol	360.00	NIST
ΔvapH	43.50	kJ/mol	381.50	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[332.70; 333.00]	K	[2.70; 2.70]
Tboilr	332.70	K	2.70	NIST
Tboilr	333.00	K	2.70	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[319.17; 467.18]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.61960e+01
Coefficient B			-5.10156e+03
Coefficient C			1.51800e+00
Temperature range, min.			319.17
Temperature range, max.			467.18
Pvap	1.33	kPa	319.17	Calculated Property
Pvap	2.90	kPa	335.62	Calculated Property
Pvap	5.86	kPa	352.06	Calculated Property
Pvap	11.12	kPa	368.51	Calculated Property
Pvap	20.00	kPa	384.95	Calculated Property
Pvap	34.27	kPa	401.40	Calculated Property
Pvap	56.31	kPa	417.84	Calculated Property
Pvap	89.12	kPa	434.29	Calculated Property
Pvap	136.41	kPa	450.73	Calculated Property
Pvap	202.64	kPa	467.18	Calculated Property
Pvap	[0.08; 4888.09]	kPa	[273.15; 659.28]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			6.57712e+01
Coefficient B			-7.27878e+03
Coefficient C			-7.50551e+00
Coefficient D			5.71307e-06
Temperature range, min.			273.15
Temperature range, max.			659.28
Pvap	0.08	kPa	273.15	Calculated Property
Pvap	1.12	kPa	316.05	Calculated Property
Pvap	7.95	kPa	358.96	Calculated Property
Pvap	35.78	kPa	401.86	Calculated Property
Pvap	118.00	kPa	444.76	Calculated Property
Pvap	313.51	kPa	487.67	Calculated Property
Pvap	714.44	kPa	530.57	Calculated Property
Pvap	1458.02	kPa	573.47	Calculated Property
Pvap	2747.50	kPa	616.38	Calculated Property
Pvap	4888.09	kPa	659.28	Calculated Property

Similar Compounds

Find more compounds similar to Butane, 1,2-dibromo-.

Sources

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

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