Chemical Properties of Butane, 2,3-dibromo- (CAS 5408-86-6)

InChI

InChI=1S/C4H8Br2/c1-3(5)4(2)6/h3-4H,1-2H3

InChI Key

BXXWFOGWXLJPPA-UHFFFAOYSA-N

Formula

C4H8Br2

SMILES

CC(Br)C(C)Br

Molecular Weight¹

215.91

CAS

5408-86-6

Other Names

• 2,3-Dibromobutane
• «beta»-Butylene bromide

• ω : Acentric Factor.
• 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_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	0.4050		Relay (1.0) Calculated Property
ΔfH°gas	-110.26	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.64	kJ/mol	Joback Calculated Property
ΔvapH°	45.44	kJ/mol	Relay (1.0) Calculated Property
IE	9.98	eV	Relay (1.0) Calculated Property
log10WS	-2.76		Relay (1.0) Calculated Property
logPoct/wat	2.553		Crippen Calculated Property
McVol	102.220	ml/mol	McGowan Calculated Property
Pc	4769.39	kPa	Joback Calculated Property
Inp	[882.00; 916.00]
Inp	904.00		NIST
Inp	882.00		NIST
Inp	916.00		NIST
Inp	904.00		NIST
Tboil	[431.00; 431.15]	K
Tboil	431.00 ± 2.00	K	NIST
Tboil	431.15 ± 1.50	K	NIST
Tc	629.25	K	Relay (1.0) Calculated Property
Tfus	295.77	K	Relay (1.0) Calculated Property
Vc	0.368	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

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[117.68; 244.91]	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			1.22700e+01
Coefficient B			4.72040e-01
Coefficient C			-3.43000e-04
Coefficient D			1.03600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	117.68	J/mol×K	273.00	Calculated Property
Cp,gas	140.93	J/mol×K	353.78	Calculated Property
Cp,gas	161.13	J/mol×K	434.56	Calculated Property
Cp,gas	178.62	J/mol×K	515.33	Calculated Property
Cp,gas	193.72	J/mol×K	596.11	Calculated Property
Cp,gas	206.76	J/mol×K	676.89	Calculated Property
Cp,gas	218.08	J/mol×K	757.67	Calculated Property
Cp,gas	227.99	J/mol×K	838.44	Calculated Property
Cp,gas	236.82	J/mol×K	919.22	Calculated Property
Cp,gas	244.91	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0065317; 0.0003387]	Pa×s	[224.44; 447.59]	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			-1.09671e+01
Coefficient B			1.33228e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			224.44
Temperature range, max.			447.59
η	0.0065317	Pa×s	224.44	Calculated Property
η	0.0036188	Pa×s	249.23	Calculated Property
η	0.0022311	Pa×s	274.03	Calculated Property
η	0.0014905	Pa×s	298.82	Calculated Property
η	0.0010592	Pa×s	323.62	Calculated Property
η	0.0007902	Pa×s	348.41	Calculated Property
η	0.0006129	Pa×s	373.20	Calculated Property
η	0.0004907	Pa×s	398.00	Calculated Property
η	0.0004032	Pa×s	422.79	Calculated Property
η	0.0003387	Pa×s	447.59	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[324.82; 456.50]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.53443e+01
Coefficient B			-3.95955e+03
Coefficient C			-6.18440e+01
Temperature range, min.			324.82
Temperature range, max.			456.50
Pvap	1.33	kPa	324.82	Calculated Property
Pvap	2.95	kPa	339.45	Calculated Property
Pvap	6.02	kPa	354.08	Calculated Property
Pvap	11.49	kPa	368.71	Calculated Property
Pvap	20.66	kPa	383.34	Calculated Property
Pvap	35.32	kPa	397.98	Calculated Property
Pvap	57.74	kPa	412.61	Calculated Property
Pvap	90.73	kPa	427.24	Calculated Property
Pvap	137.70	kPa	441.87	Calculated Property
Pvap	202.63	kPa	456.50	Calculated Property

Similar Compounds

Find more compounds similar to Butane, 2,3-dibromo-.

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.
These property values are available through the Cheméo API. A free account gives you an access key.