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

• ω : Acentric Factor.
• 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_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).
• 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.
• 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
ω	0.4427		Relay (1.0) Calculated Property
ΔcH°liquid	-2570.10 ± 2.20	kJ/mol	NIST
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
IE	10.05	eV	Relay (1.0) Calculated Property
log10WS	-2.63		Relay (1.0) 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	640.06	K	Relay (1.0) Calculated Property
Tfus	207.70 ± 0.30	K	NIST
Vc	0.366	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
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
Cp,gas	[118.00; 244.37]	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			1.39520e+01
Coefficient B			4.66120e-01
Coefficient C			-3.39800e-04
Coefficient D			1.04100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	118.00	J/mol×K	273.00	Calculated Property
Cp,gas	140.94	J/mol×K	353.78	Calculated Property
Cp,gas	160.88	J/mol×K	434.56	Calculated Property
Cp,gas	178.17	J/mol×K	515.33	Calculated Property
Cp,gas	193.12	J/mol×K	596.11	Calculated Property
Cp,gas	206.06	J/mol×K	676.89	Calculated Property
Cp,gas	217.33	J/mol×K	757.67	Calculated Property
Cp,gas	227.25	J/mol×K	838.44	Calculated Property
Cp,gas	236.16	J/mol×K	919.22	Calculated Property
Cp,gas	244.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0100442; 0.0003637]	Pa×s	[207.70; 444.21]	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			-1.08331e+01
Coefficient B			1.29446e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			207.70
Temperature range, max.			444.21
η	0.0100442	Pa×s	207.70	Calculated Property
η	0.0049879	Pa×s	233.98	Calculated Property
η	0.0028531	Pa×s	260.26	Calculated Property
η	0.0018080	Pa×s	286.54	Calculated Property
η	0.0012370	Pa×s	312.82	Calculated Property
η	0.0008977	Pa×s	339.10	Calculated Property
η	0.0006821	Pa×s	365.38	Calculated Property
η	0.0005378	Pa×s	391.65	Calculated Property
η	0.0004369	Pa×s	417.93	Calculated Property
η	0.0003637	Pa×s	444.21	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[319.17; 467.18]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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 Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			6.57712e+01
Coefficient B			-7.27878e+03
Coefficient C			-7.50551e+00
Coefficient D			5.71307e-06
Coefficient E			0.00000e+00
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
Pvap	[0.13; 99.78]	kPa	[280.70; 439.50]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.46948e+01
Coefficient B			-4.05042e+03
Coefficient C			-3.81410e+01
Reference			Stull, 1947
Temperature range, min.			280.70
Temperature range, max.			439.50
Pvap	0.13	kPa	280.70	Calculated Property
Pvap	0.42	kPa	298.34	Calculated Property
Pvap	1.12	kPa	315.99	Calculated Property
Pvap	2.68	kPa	333.63	Calculated Property
Pvap	5.81	kPa	351.28	Calculated Property
Pvap	11.59	kPa	368.92	Calculated Property
Pvap	21.54	kPa	386.57	Calculated Property
Pvap	37.72	kPa	404.21	Calculated Property
Pvap	62.74	kPa	421.86	Calculated Property
Pvap	99.78	kPa	439.50	Calculated Property

Similar Compounds

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

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• 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.
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