Chemical Properties of «alpha»,«alpha»-Dichloromethyl methyl ether (CAS 4885-02-3)

InChI

InChI=1S/C2H4Cl2O/c1-5-2(3)4/h2H,1H3

InChI Key

GRTGGSXWHGKRSB-UHFFFAOYSA-N

Formula

C2H4Cl2O

SMILES

COC(Cl)Cl

Molecular Weight¹

114.96

CAS

4885-02-3

Other Names

• (Dichloromethyl)methyl ether
• CH3OCHCl2
• 1,1-Dichloromethylmethyl ether
• Methane, dichloromethoxy-
• Dichloromethoxymethane
• Ether, dichloromethyl methyl
• «alpha»,«alpha»-Dichloromethyl ether
• Methyl dichloromethyl ether

• 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	0.2577		Relay (1.0) Calculated Property
ΔfG°	-165.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-253.26	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	7.00	kJ/mol	Joback Calculated Property
ΔvapH°	35.96	kJ/mol	Relay (1.0) Calculated Property
IE	[10.60; 11.16]	eV
IE	10.84	eV	NIST
IE	10.60	eV	NIST
IE	11.16	eV	NIST
log10WS	-1.01		Relay (1.0) Calculated Property
logPoct/wat	1.394		Crippen Calculated Property
McVol	69.390	ml/mol	McGowan Calculated Property
Pc	4486.22	kPa	Joback Calculated Property
Inp	[655.00; 655.00]
Inp	655.00		NIST
Inp	655.00		NIST
Inp	655.00		NIST
Tboil	[358.20; 359.00]	K
Tboil	358.20	K	NIST
Tboil	359.00 ± 6.00	K	NIST
Tc	543.42	K	Relay (1.0) Calculated Property
Tfus	164.53	K	Relay (1.0) Calculated Property
Vc	0.257	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[89.81; 158.09]	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			5.06700e+01
Coefficient B			1.50120e-01
Coefficient C			-1.80000e-05
Coefficient D			-2.47000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	89.81	J/mol×K	273.00	Calculated Property
Cp,gas	100.43	J/mol×K	353.78	Calculated Property
Cp,gas	110.48	J/mol×K	434.56	Calculated Property
Cp,gas	119.87	J/mol×K	515.33	Calculated Property
Cp,gas	128.53	J/mol×K	596.11	Calculated Property
Cp,gas	136.38	J/mol×K	676.89	Calculated Property
Cp,gas	143.33	J/mol×K	757.67	Calculated Property
Cp,gas	149.32	J/mol×K	838.44	Calculated Property
Cp,gas	154.27	J/mol×K	919.22	Calculated Property
Cp,gas	158.09	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0044225; 0.0002470]	Pa×s	[179.37; 371.24]	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			-1.10034e+01
Coefficient B			1.00131e+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.			179.37
Temperature range, max.			371.24
η	0.0044225	Pa×s	179.37	Calculated Property
η	0.0024442	Pa×s	200.69	Calculated Property
η	0.0015137	Pa×s	222.01	Calculated Property
η	0.0010196	Pa×s	243.33	Calculated Property
η	0.0007319	Pa×s	264.65	Calculated Property
η	0.0005520	Pa×s	285.96	Calculated Property
η	0.0004330	Pa×s	307.28	Calculated Property
η	0.0003505	Pa×s	328.60	Calculated Property
η	0.0002911	Pa×s	349.92	Calculated Property
η	0.0002470	Pa×s	371.24	Calculated Property

Similar Compounds

Find more compounds similar to «alpha»,«alpha»-Dichloromethyl methyl ether.

Sources

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

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