Chemical Properties of Butane, 1,3-dibromo- (CAS 107-80-2)

InChI

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

InChI Key

XZNGUVQDFJHPLU-UHFFFAOYSA-N

Formula

C4H8Br2

SMILES

CC(Br)CCBr

Molecular Weight¹

215.91

CAS

107-80-2

Other Names

• 1,3-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_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_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	0.4574		Relay (1.0) Calculated Property
ΔfH°gas	-97.28	kJ/mol	NIST
ΔfH°liquid	-147.80 ± 5.10	kJ/mol	NIST
ΔfusH°	13.16	kJ/mol	Joback Calculated Property
ΔvapH°	49.50	kJ/mol	NIST
IE	9.95	eV	Relay (1.0) Calculated Property
log10WS	-2.48		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	[964.00; 987.00]
Inp	987.00		NIST
Inp	964.00		NIST
Inp	973.00		NIST
Inp	964.00		NIST
Tboil	[447.20; 448.15]	K
Tboil	447.20	K	NIST
Tboil	448.15 ± 1.50	K	NIST
Tboil	447.65 ± 2.00	K	NIST
Tc	642.24	K	Relay (1.0) Calculated Property
Tfus	213.93	K	Relay (1.0) Calculated Property
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

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	[0.0043966; 0.0003637]	Pa×s	[239.44; 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.			239.44
Temperature range, max.			444.21
η	0.0043966	Pa×s	239.44	Calculated Property
η	0.0027503	Pa×s	262.19	Calculated Property
η	0.0018543	Pa×s	284.95	Calculated Property
η	0.0013252	Pa×s	307.70	Calculated Property
η	0.0009919	Pa×s	330.45	Calculated Property
η	0.0007707	Pa×s	353.20	Calculated Property
η	0.0006174	Pa×s	375.96	Calculated Property
η	0.0005073	Pa×s	398.71	Calculated Property
η	0.0004257	Pa×s	421.46	Calculated Property
η	0.0003637	Pa×s	444.21	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[343.28; 473.09]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.43406e+01
Coefficient B			-3.27841e+03
Coefficient C			-1.09992e+02
Temperature range, min.			343.28
Temperature range, max.			473.09
Pvap	1.33	kPa	343.28	Calculated Property
Pvap	3.02	kPa	357.70	Calculated Property
Pvap	6.26	kPa	372.13	Calculated Property
Pvap	12.02	kPa	386.55	Calculated Property
Pvap	21.62	kPa	400.97	Calculated Property
Pvap	36.82	kPa	415.40	Calculated Property
Pvap	59.74	kPa	429.82	Calculated Property
Pvap	92.98	kPa	444.24	Calculated Property
Pvap	139.50	kPa	458.67	Calculated Property
Pvap	202.66	kPa	473.09	Calculated Property

Similar Compounds

Find more compounds similar to Butane, 1,3-dibromo-.

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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