Chemical Properties of Propane, 2,2-dibromo- (CAS 594-16-1)

InChI

InChI=1S/C3H6Br2/c1-3(2,4)5/h1-2H3

InChI Key

ARITXYXYCOZKMU-UHFFFAOYSA-N

Formula

C3H6Br2

SMILES

CC(C)(Br)Br

Molecular Weight¹

201.89

CAS

594-16-1

Other Names

• 2,2-Dibromopropane

• 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).
• 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
ΔfG°	5.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-61.34	kJ/mol	Joback Calculated Property
ΔfusH°	6.68	kJ/mol	Joback Calculated Property
ΔvapH°	33.85	kJ/mol	Joback Calculated Property
log10WS	-2.55		Crippen Calculated Property
logPoct/wat	2.512		Crippen Calculated Property
McVol	88.130	ml/mol	McGowan Calculated Property
Pc	5495.11	kPa	Joback Calculated Property
Inp	[771.00; 771.00]
Inp	771.00		NIST
Inp	771.00		NIST
Tboil	397.13	K	Joback Calculated Property
Tc	620.94	K	Joback Calculated Property
Tfus	245.59	K	Joback Calculated Property
Vc	0.317	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[125.78; 161.34]	J/mol×K	[397.13; 620.94]
Cp,gas	125.78	J/mol×K	397.13	Joback Calculated Property
Cp,gas	133.21	J/mol×K	434.43	Joback Calculated Property
Cp,gas	139.96	J/mol×K	471.73	Joback Calculated Property
Cp,gas	146.10	J/mol×K	509.03	Joback Calculated Property
Cp,gas	151.67	J/mol×K	546.33	Joback Calculated Property
Cp,gas	156.74	J/mol×K	583.64	Joback Calculated Property
Cp,gas	161.34	J/mol×K	620.94	Joback Calculated Property
η	[0.0005165; 0.0045692]	Pa×s	[245.59; 397.13]
η	0.0045692	Pa×s	245.59	Joback Calculated Property
η	0.0026821	Pa×s	270.85	Joback Calculated Property
η	0.0017242	Pa×s	296.10	Joback Calculated Property
η	0.0011881	Pa×s	321.36	Joback Calculated Property
η	0.0008644	Pa×s	346.62	Joback Calculated Property
η	0.0006566	Pa×s	371.87	Joback Calculated Property
η	0.0005165	Pa×s	397.13	Joback Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.62]	kPa	[295.88; 411.66]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.39169e+01
Coefficient B			-2.70302e+03
Coefficient C			-9.75580e+01
Temperature range, min.			295.88
Temperature range, max.			411.66
Pvap	1.33	kPa	295.88	Calculated Property
Pvap	3.06	kPa	308.74	Calculated Property
Pvap	6.38	kPa	321.61	Calculated Property
Pvap	12.28	kPa	334.47	Calculated Property
Pvap	22.09	kPa	347.34	Calculated Property
Pvap	37.54	kPa	360.20	Calculated Property
Pvap	60.70	kPa	373.07	Calculated Property
Pvap	94.03	kPa	385.93	Calculated Property
Pvap	140.31	kPa	398.80	Calculated Property
Pvap	202.62	kPa	411.66	Calculated Property

Similar Compounds

Find more compounds similar to Propane, 2,2-dibromo-.

Sources

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

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