Chemical Properties of meso-2,3-dibromobutane (CAS 5780-13-2)

InChI

InChI=1S/C4H8Br2/c1-3(5)4(2)6/h3-4H,1-2H3/t3-,4+

InChI Key

BXXWFOGWXLJPPA-ZXZARUISSA-N

Formula

C4H8Br2

SMILES

CC(Br)C(C)Br

Molecular Weight¹

215.91

CAS

5780-13-2

Other Names

• Butane, 2,3-dibromo-, erythro
• Threo-2,3-dibromobutane
• erythro-2,3-Dibromobutane

• 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).
• 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_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°	6.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-101.60	kJ/mol	NIST
ΔfusH°	9.64	kJ/mol	Joback Calculated Property
ΔvapH°	46.44	kJ/mol	NIST
IE	10.16	eV	NIST
log10WS	-2.58		Crippen 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	916.00		NIST
Tboil	[430.50; 430.50]	K
Tboil	430.50	K	NIST
Tboil	430.50 ± 0.50	K	NIST
Tc	639.11	K	Joback Calculated Property
Tfus	224.44	K	Joback Calculated Property
Vc	0.371	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[158.26; 200.90]	J/mol×K	[422.36; 639.11]
Cp,gas	158.26	J/mol×K	422.36	Joback Calculated Property
Cp,gas	166.58	J/mol×K	458.48	Joback Calculated Property
Cp,gas	174.37	J/mol×K	494.61	Joback Calculated Property
Cp,gas	181.67	J/mol×K	530.73	Joback Calculated Property
Cp,gas	188.50	J/mol×K	566.86	Joback Calculated Property
Cp,gas	194.90	J/mol×K	602.98	Joback Calculated Property
Cp,gas	200.90	J/mol×K	639.11	Joback Calculated Property
η	[0.0004045; 0.0065317]	Pa×s	[224.44; 422.36]
η	0.0065317	Pa×s	224.44	Joback Calculated Property
η	0.0030527	Pa×s	257.43	Joback Calculated Property
η	0.0016958	Pa×s	290.41	Joback Calculated Property
η	0.0010621	Pa×s	323.40	Joback Calculated Property
η	0.0007254	Pa×s	356.39	Joback Calculated Property
η	0.0005285	Pa×s	389.37	Joback Calculated Property
η	0.0004045	Pa×s	422.36	Joback Calculated Property
ΔvapH	41.70	kJ/mol	352.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[328.92; 456.03]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.41224e+01
Coefficient B			-3.08399e+03
Coefficient C			-1.06007e+02
Temperature range, min.			328.92
Temperature range, max.			456.03
Pvap	1.33	kPa	328.92	Calculated Property
Pvap	3.04	kPa	343.04	Calculated Property
Pvap	6.32	kPa	357.17	Calculated Property
Pvap	12.15	kPa	371.29	Calculated Property
Pvap	21.86	kPa	385.41	Calculated Property
Pvap	37.18	kPa	399.54	Calculated Property
Pvap	60.23	kPa	413.66	Calculated Property
Pvap	93.51	kPa	427.78	Calculated Property
Pvap	139.92	kPa	441.91	Calculated Property
Pvap	202.66	kPa	456.03	Calculated Property

Similar Compounds

Find more compounds similar to meso-2,3-dibromobutane.

Sources

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

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