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

• 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_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	-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	-2.76		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	[916.00; 916.00]
Inp	916.00		NIST
Inp	916.00		NIST
Tboil	[430.50; 430.50]	K
Tboil	430.50	K	NIST
Tboil	430.50 ± 0.50	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

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; 202.66]	kPa	[328.92; 456.03]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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

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

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