Chemical Properties of Pentane, 1,4-dibromo- (CAS 626-87-9)

InChI

InChI=1S/C5H10Br2/c1-5(7)3-2-4-6/h5H,2-4H2,1H3

InChI Key

CNBFRBXEGGRSPL-UHFFFAOYSA-N

Formula

C5H10Br2

SMILES

CC(Br)CCCBr

Molecular Weight¹

229.94

CAS

626-87-9

Other Names

• 1,4-Dibromopentane

• 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_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	0.4835		Relay (1.0) Calculated Property
ΔfH°gas	-128.46	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	-173.20	kJ/mol	NIST
ΔfusH°	15.75	kJ/mol	Joback Calculated Property
ΔvapH°	52.42	kJ/mol	Relay (1.0) Calculated Property
IE	9.93	eV	Relay (1.0) Calculated Property
log10WS	-3.18		Relay (1.0) Calculated Property
logPoct/wat	2.945		Crippen Calculated Property
McVol	116.310	ml/mol	McGowan Calculated Property
Pc	4151.61	kPa	Joback Calculated Property
Inp	[1103.00; 1113.00]
Inp	1113.00		NIST
Inp	1103.00		NIST
Tboil	470.88	K	Relay (1.0) Calculated Property
Tc	664.93	K	Relay (1.0) Calculated Property
Tfus	239.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.417	m3/kmol	Relay (1.0) Calculated Property

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Temperature Dependent Properties

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[139.21; 295.96]	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			1.30430e+01
Coefficient B			5.61120e-01
Coefficient C			-3.94200e-04
Coefficient D			1.16000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	139.21	J/mol×K	273.00	Calculated Property
Cp,gas	167.35	J/mol×K	353.78	Calculated Property
Cp,gas	191.96	J/mol×K	434.56	Calculated Property
Cp,gas	213.40	J/mol×K	515.33	Calculated Property
Cp,gas	232.03	J/mol×K	596.11	Calculated Property
Cp,gas	248.22	J/mol×K	676.89	Calculated Property
Cp,gas	262.34	J/mol×K	757.67	Calculated Property
Cp,gas	274.77	J/mol×K	838.44	Calculated Property
Cp,gas	285.85	J/mol×K	919.22	Calculated Property
Cp,gas	295.96	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0057263; 0.0003562]	Pa×s	[239.15; 458.41]	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			-1.09692e+01
Coefficient B			1.38862e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			239.15
Temperature range, max.			458.41
η	0.0057263	Pa×s	239.15	Calculated Property
η	0.0033476	Pa×s	263.51	Calculated Property
η	0.0021432	Pa×s	287.87	Calculated Property
η	0.0014710	Pa×s	312.24	Calculated Property
η	0.0010661	Pa×s	336.60	Calculated Property
η	0.0008070	Pa×s	360.96	Calculated Property
η	0.0006328	Pa×s	385.32	Calculated Property
η	0.0005107	Pa×s	409.69	Calculated Property
η	0.0004222	Pa×s	434.05	Calculated Property
η	0.0003562	Pa×s	458.41	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[358.52; 486.15]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.65631e+01
Coefficient B			-4.65211e+03
Coefficient C			-7.26860e+01
Temperature range, min.			358.52
Temperature range, max.			486.15
Pvap	1.33	kPa	358.52	Calculated Property
Pvap	2.88	kPa	372.70	Calculated Property
Pvap	5.79	kPa	386.88	Calculated Property
Pvap	10.98	kPa	401.06	Calculated Property
Pvap	19.74	kPa	415.24	Calculated Property
Pvap	33.87	kPa	429.43	Calculated Property
Pvap	55.76	kPa	443.61	Calculated Property
Pvap	88.49	kPa	457.79	Calculated Property
Pvap	135.91	kPa	471.97	Calculated Property
Pvap	202.67	kPa	486.15	Calculated Property

Similar Compounds

Find more compounds similar to Pentane, 1,4-dibromo-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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