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 bromide
• Ethylidene dibromide

• 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).
• 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	0.3920		Relay (1.0) Calculated Property
ΔfG°	-7.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-41.00	kJ/mol	NIST
ΔfusH°	7.98	kJ/mol	Joback Calculated Property
ΔvapH°	38.87	kJ/mol	Relay (1.0) 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	-1.50		Relay (1.0) 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	584.13	K	Relay (1.0) Calculated Property
Tfus	215.58	K	Relay (1.0) Calculated Property
Vc	0.281	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[75.57; 141.19]	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			1.57700e+01
Coefficient B			2.76120e-01
Coefficient C			-2.31000e-04
Coefficient D			8.03000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	75.57	J/mol×K	273.00	Calculated Property
Cp,gas	88.10	J/mol×K	353.78	Calculated Property
Cp,gas	98.73	J/mol×K	434.56	Calculated Property
Cp,gas	107.71	J/mol×K	515.33	Calculated Property
Cp,gas	115.29	J/mol×K	596.11	Calculated Property
Cp,gas	121.74	J/mol×K	676.89	Calculated Property
Cp,gas	127.30	J/mol×K	757.67	Calculated Property
Cp,gas	132.22	J/mol×K	838.44	Calculated Property
Cp,gas	136.77	J/mol×K	919.22	Calculated Property
Cp,gas	141.19	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0041922; 0.0003667]	Pa×s	[216.90; 415.31]	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			-1.05743e+01
Coefficient B			1.10614e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			216.90
Temperature range, max.			415.31
η	0.0041922	Pa×s	216.90	Calculated Property
η	0.0026188	Pa×s	238.95	Calculated Property
η	0.0017713	Pa×s	260.99	Calculated Property
η	0.0012733	Pa×s	283.04	Calculated Property
η	0.0009600	Pa×s	305.08	Calculated Property
η	0.0007519	Pa×s	327.13	Calculated Property
η	0.0006074	Pa×s	349.17	Calculated Property
η	0.0005032	Pa×s	371.22	Calculated Property
η	0.0004258	Pa×s	393.26	Calculated Property
η	0.0003667	Pa×s	415.31	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[279.31; 406.87]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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 Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			5.57186e+01
Coefficient B			-6.50116e+03
Coefficient C			-5.75296e+00
Coefficient D			1.01867e-06
Coefficient E			0.00000e+00
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
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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