Chemical Properties of Ether, bis(1-chloroethyl) (CAS 6986-48-7)

InChI

InChI=1S/C4H8Cl2O/c1-3(5)7-4(2)6/h3-4H,1-2H3

InChI Key

OBQPKGCVMCIETH-UHFFFAOYSA-N

Formula

C4H8Cl2O

SMILES

CC(Cl)OC(C)Cl

Molecular Weight¹

143.01

CAS

6986-48-7

• 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).
• 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	0.3474		Relay (1.0) Calculated Property
ΔfG°	-150.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-350.85	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.65	kJ/mol	Joback Calculated Property
ΔvapH°	42.23	kJ/mol	Relay (1.0) Calculated Property
IE	10.26	eV	Relay (1.0) Calculated Property
log10WS	-1.47		Relay (1.0) Calculated Property
logPoct/wat	2.173		Crippen Calculated Property
McVol	97.570	ml/mol	McGowan Calculated Property
Pc	3555.77	kPa	Joback Calculated Property
Inp	[772.00; 775.00]
Inp	775.00		NIST
Inp	772.00		NIST
Tboil	395.85	K	Relay (1.0) Calculated Property
Tc	575.45	K	Relay (1.0) Calculated Property
Tfus	190.97	K	Relay (1.0) Calculated Property
Vc	0.361	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[131.92; 261.81]	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			4.71700e+01
Coefficient B			3.46040e-01
Coefficient C			-1.30000e-04
Coefficient D			-1.40000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	131.92	J/mol×K	273.00	Calculated Property
Cp,gas	153.26	J/mol×K	353.78	Calculated Property
Cp,gas	172.88	J/mol×K	434.56	Calculated Property
Cp,gas	190.78	J/mol×K	515.33	Calculated Property
Cp,gas	206.96	J/mol×K	596.11	Calculated Property
Cp,gas	221.40	J/mol×K	676.89	Calculated Property
Cp,gas	234.12	J/mol×K	757.67	Calculated Property
Cp,gas	245.09	J/mol×K	838.44	Calculated Property
Cp,gas	254.32	J/mol×K	919.22	Calculated Property
Cp,gas	261.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0086517; 0.0002517]	Pa×s	[186.91; 405.13]	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			-1.13171e+01
Coefficient B			1.22745e+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.			186.91
Temperature range, max.			405.13
η	0.0086517	Pa×s	186.91	Calculated Property
η	0.0040702	Pa×s	211.16	Calculated Property
η	0.0022366	Pa×s	235.40	Calculated Property
η	0.0013744	Pa×s	259.65	Calculated Property
η	0.0009179	Pa×s	283.89	Calculated Property
η	0.0006532	Pa×s	308.14	Calculated Property
η	0.0004885	Pa×s	332.39	Calculated Property
η	0.0003800	Pa×s	356.63	Calculated Property
η	0.0003052	Pa×s	380.88	Calculated Property
η	0.0002517	Pa×s	405.13	Calculated Property

Similar Compounds

Find more compounds similar to Ether, bis(1-chloroethyl).

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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