Chemical Properties of Butane, 1,2,3,4-tetrabromo- (CAS 1529-68-6)

InChI

InChI=1S/C4H6Br4/c5-1-3(7)4(8)2-6/h3-4H,1-2H2

InChI Key

HGRZLIGHKHRTRE-UHFFFAOYSA-N

Formula

C4H6Br4

SMILES

BrCC(Br)C(Br)CBr

Molecular Weight¹

373.71

CAS

1529-68-6

Other Names

• 1,2,3,4-Tetrabromobutane
• Fireguard 5000
• NSC 505
• Tetrabromobutane

• ω : Acentric Factor.
• 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).
• 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).
• 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	0.5808		Relay (1.0) Calculated Property
ΔfG°	35.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-61.81	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.21	kJ/mol	Joback Calculated Property
ΔvapH°	64.79	kJ/mol	Relay (1.0) Calculated Property
IE	10.01	eV	Relay (1.0) Calculated Property
log10WS	-3.79		Relay (1.0) Calculated Property
logPoct/wat	3.303		Crippen Calculated Property
McVol	137.220	ml/mol	McGowan Calculated Property
Pc	5827.17	kPa	Joback Calculated Property
Tboil	527.86	K	Relay (1.0) Calculated Property
Tc	741.85	K	Relay (1.0) Calculated Property
Tfus	[387.00; 389.40]	K
Tfus	389.40 ± 1.00	K	NIST
Tfus	387.00 ± 3.00	K	NIST
Vc	0.450	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[212.69; 245.03]	J/mol×K	[554.68; 806.06]
Cp,gas	212.69	J/mol×K	554.68	Joback Calculated Property
Cp,gas	219.39	J/mol×K	596.58	Joback Calculated Property
Cp,gas	225.47	J/mol×K	638.47	Joback Calculated Property
Cp,gas	231.00	J/mol×K	680.37	Joback Calculated Property
Cp,gas	236.05	J/mol×K	722.26	Joback Calculated Property
Cp,gas	240.70	J/mol×K	764.16	Joback Calculated Property
Cp,gas	245.03	J/mol×K	806.06	Joback Calculated Property
η	[0.0003269; 0.0026676]	Pa×s	[344.04; 554.68]
η	0.0026676	Pa×s	344.04	Joback Calculated Property
η	0.0015989	Pa×s	379.15	Joback Calculated Property
η	0.0010452	Pa×s	414.25	Joback Calculated Property
η	0.0007302	Pa×s	449.36	Joback Calculated Property
η	0.0005373	Pa×s	484.47	Joback Calculated Property
η	0.0004121	Pa×s	519.57	Joback Calculated Property
η	0.0003269	Pa×s	554.68	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[406.52; 562.54]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.55237e+01
Coefficient B			-4.83218e+03
Coefficient C			-8.93660e+01
Temperature range, min.			406.52
Temperature range, max.			562.54
Pvap	1.33	kPa	406.52	Calculated Property
Pvap	2.94	kPa	423.86	Calculated Property
Pvap	5.98	kPa	441.19	Calculated Property
Pvap	11.40	kPa	458.53	Calculated Property
Pvap	20.51	kPa	475.86	Calculated Property
Pvap	35.09	kPa	493.20	Calculated Property
Pvap	57.42	kPa	510.53	Calculated Property
Pvap	90.37	kPa	527.87	Calculated Property
Pvap	137.42	kPa	545.20	Calculated Property
Pvap	202.63	kPa	562.54	Calculated Property

Similar Compounds

Find more compounds similar to Butane, 1,2,3,4-tetrabromo-.

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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