Chemical Properties of Methane, bis(2-chloroethoxy)- (CAS 111-91-1)

InChI

InChI=1S/C5H10Cl2O2/c6-1-3-8-5-9-4-2-7/h1-5H2

InChI Key

NLXGURFLBLRZRO-UHFFFAOYSA-N

Formula

C5H10Cl2O2

SMILES

ClCCOCOCCCl

Molecular Weight¹

173.04

CAS

111-91-1

Other Names

• 2,2-Dichloroethylformal
• Bis(2-chloroethoxy)methane
• Bis(2-chloroethyl) formal
• Bis(«beta»-chloroethyl) formal
• Bis(«beta»-chloroethyl) formal
• Di-2-chloroethyl formal
• Ethane, 1,1'-[methylenebis(oxy)]bis[2-chloro-
• Formaldehyde bis(2-chloroethyl) acetal
• Formaldehyde bis(«beta»-chloroethyl) acetal
• Formaldehyde bis(«beta»-chloroethyl) acetal
• NSC 5212
• Rcra waste number U024

• 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).
• 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_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	0.5126		Relay (... Calculated Property
ΔfG°	-242.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-465.40	kJ/mol	Relay (... Calculated Property
ΔfusH°	19.48	kJ/mol	Joback Calculated Property
ΔvapH°	52.01	kJ/mol	Relay (... Calculated Property
IE	10.28	eV	Relay (... Calculated Property
log10WS	-1.25		Relay (... Calculated Property
logPoct/wat	1.455		Crippen Calculated Property
McVol	117.530	ml/mol	McGowan Calculated Property
Pc	3065.95	kPa	Joback Calculated Property
Inp	[194.00; 1164.00]
Inp	1164.00		NIST
Inp	194.00		NIST
Inp	1164.00		NIST
Tboil	469.21	K	Relay (... Calculated Property
Tc	655.19	K	Relay (... Calculated Property
Tfus	230.53	K	Relay (... Calculated Property
Vc	0.420	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[217.67; 264.64]	J/mol×K	[433.50; 614.33]
Cp,gas	217.67	J/mol×K	433.50	Joback Calculated Property
Cp,gas	226.10	J/mol×K	463.64	Joback Calculated Property
Cp,gas	234.30	J/mol×K	493.78	Joback Calculated Property
Cp,gas	242.26	J/mol×K	523.91	Joback Calculated Property
Cp,gas	249.98	J/mol×K	554.05	Joback Calculated Property
Cp,gas	257.44	J/mol×K	584.19	Joback Calculated Property
Cp,gas	264.64	J/mol×K	614.33	Joback Calculated Property
η	[0.0002516; 0.0025283]	Pa×s	[250.41; 433.50]
η	0.0025283	Pa×s	250.41	Joback Calculated Property
η	0.0013967	Pa×s	280.93	Joback Calculated Property
η	0.0008667	Pa×s	311.44	Joback Calculated Property
η	0.0005857	Pa×s	341.95	Joback Calculated Property
η	0.0004220	Pa×s	372.47	Joback Calculated Property
η	0.0003195	Pa×s	402.99	Joback Calculated Property
η	0.0002516	Pa×s	433.50	Joback Calculated Property
ΔvapH	54.20	kJ/mol	407.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.18; 202.64]	kPa	[326.00; 555.01]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.49589e+01
Coefficient B			-5.24330e+03
Coefficient C			-1.15200e+01
Temperature range, min.			326.00
Temperature range, max.			555.01
Pvap	0.18	kPa	326.00	Calculated Property
Pvap	0.63	kPa	351.45	Calculated Property
Pvap	1.84	kPa	376.89	Calculated Property
Pvap	4.68	kPa	402.34	Calculated Property
Pvap	10.62	kPa	427.78	Calculated Property
Pvap	21.94	kPa	453.23	Calculated Property
Pvap	41.89	kPa	478.67	Calculated Property
Pvap	74.79	kPa	504.12	Calculated Property
Pvap	126.16	kPa	529.56	Calculated Property
Pvap	202.64	kPa	555.01	Calculated Property

Similar Compounds

Find more compounds similar to Methane, bis(2-chloroethoxy)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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