Chemical Properties of Ethane, 1,1-dibromo- (CAS 557-91-5)

InChI

InChI=1S/C2H4Br2/c1-2(3)4/h2H,1H3

InChI Key

APQIUTYORBAGEZ-UHFFFAOYSA-N

Formula

C2H4Br2

SMILES

CC(Br)Br

Molecular Weight¹

187.86

CAS

557-91-5

Other Names

• 1,1-Dibromoethane
• CH3CHBr2
• Dibromoethane
• ETHYLIDENE DIBROMIDE
• Ethylidene bromide

• 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).
• 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
ΔfG°	-7.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-41.00	kJ/mol	NIST
ΔfusH°	7.98	kJ/mol	Joback Calculated Property
ΔvapH°	32.53	kJ/mol	Joback Calculated Property
IE	[10.17; 10.19]	eV
IE	10.17	eV	NIST
IE	10.17	eV	NIST
IE	10.19 ± 0.03	eV	NIST
log10WS	-2.13		Crippen Calculated Property
logPoct/wat	2.122		Crippen Calculated Property
McVol	74.040	ml/mol	McGowan Calculated Property
Pc	6259.01	kPa	Joback Calculated Property
Inp	[698.00; 724.00]
Inp	698.00		NIST
Inp	706.00		NIST
Inp	712.00		NIST
Inp	718.00		NIST
Inp	724.00		NIST
Tboil	[381.20; 382.65]	K
Tboil	381.20	K	NIST
Tboil	382.65 ± 0.70	K	NIST
Tc	592.98	K	Joback Calculated Property
Tfus	216.90	K	Joback Calculated Property
Vc	0.266	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[91.34; 115.02]	J/mol×K	[377.04; 592.98]
Cp,gas	91.34	J/mol×K	377.04	Joback Calculated Property
Cp,gas	96.07	J/mol×K	413.03	Joback Calculated Property
Cp,gas	100.45	J/mol×K	449.02	Joback Calculated Property
Cp,gas	104.51	J/mol×K	485.01	Joback Calculated Property
Cp,gas	108.28	J/mol×K	521.00	Joback Calculated Property
Cp,gas	111.78	J/mol×K	556.99	Joback Calculated Property
Cp,gas	115.02	J/mol×K	592.98	Joback Calculated Property
η	[0.0004806; 0.0041922]	Pa×s	[216.90; 377.04]
η	0.0041922	Pa×s	216.90	Joback Calculated Property
η	0.0023976	Pa×s	243.59	Joback Calculated Property
η	0.0015312	Pa×s	270.28	Joback Calculated Property
η	0.0010599	Pa×s	296.97	Joback Calculated Property
η	0.0007796	Pa×s	323.66	Joback Calculated Property
η	0.0006009	Pa×s	350.35	Joback Calculated Property
η	0.0004806	Pa×s	377.04	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[279.31; 406.87]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.40647e+01
Coefficient B			-3.06198e+03
Coefficient C			-5.70550e+01
Temperature range, min.			279.31
Temperature range, max.			406.87
Pvap	1.33	kPa	279.31	Calculated Property
Pvap	3.05	kPa	293.48	Calculated Property
Pvap	6.34	kPa	307.66	Calculated Property
Pvap	12.18	kPa	321.83	Calculated Property
Pvap	21.93	kPa	336.00	Calculated Property
Pvap	37.28	kPa	350.18	Calculated Property
Pvap	60.36	kPa	364.35	Calculated Property
Pvap	93.66	kPa	378.52	Calculated Property
Pvap	140.04	kPa	392.70	Calculated Property
Pvap	202.66	kPa	406.87	Calculated Property
Pvap	[2.64e-03; 6030.30]	kPa	[210.15; 628.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			5.57186e+01
Coefficient B			-6.50116e+03
Coefficient C			-5.75296e+00
Coefficient D			1.01867e-06
Temperature range, min.			210.15
Temperature range, max.			628.00
Pvap	2.64e-03	kPa	210.15	Calculated Property
Pvap	0.23	kPa	256.58	Calculated Property
Pvap	4.42	kPa	303.01	Calculated Property
Pvap	34.71	kPa	349.43	Calculated Property
Pvap	155.50	kPa	395.86	Calculated Property
Pvap	479.24	kPa	442.29	Calculated Property
Pvap	1139.52	kPa	488.72	Calculated Property
Pvap	2250.19	kPa	535.14	Calculated Property
Pvap	3876.83	kPa	581.57	Calculated Property
Pvap	6030.30	kPa	628.00	Calculated Property

Similar Compounds

Find more compounds similar to Ethane, 1,1-dibromo-.

Sources

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

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