Chemical Properties of 1-Acetoxy-2-(2-chloroethoxy)ethane

InChI

InChI=1S/C6H11ClO3/c1-6(8)10-5-4-9-3-2-7/h2-5H2,1H3

InChI Key

ZUZWLUYOVJTJAG-UHFFFAOYSA-N

Formula

C6H11ClO3

SMILES

CC(=O)OCCOCCCl

Molecular Weight¹

166.60

Other Names

• 5-chloro-3-oxapentyl acetate

• 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 : 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	0.5425		Relay (1.0) Calculated Property
ΔfG°	-427.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-642.15	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.05	kJ/mol	Joback Calculated Property
ΔvapH°	62.19	kJ/mol	Relay (1.0) Calculated Property
IE	9.99	eV	Relay (1.0) Calculated Property
log10WS	-0.58		Relay (1.0) Calculated Property
logPoct/wat	0.805		Crippen Calculated Property
McVol	120.950	ml/mol	McGowan Calculated Property
Pc	2944.08	kPa	Joback Calculated Property
I	[1757.00; 1757.00]
I	1757.00		NIST
I	1757.00		NIST
Tboil	481.57	K	Relay (1.0) Calculated Property
Tc	660.14	K	Relay (1.0) Calculated Property
Tfus	221.91	K	Relay (1.0) Calculated Property
Vc	0.446	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[177.91; 363.75]	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			6.12340e+01
Coefficient B			4.62620e-01
Coefficient C			-1.17400e-04
Coefficient D			-4.27000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	177.91	J/mol×K	273.00	Calculated Property
Cp,gas	208.31	J/mol×K	353.78	Calculated Property
Cp,gas	236.59	J/mol×K	434.56	Calculated Property
Cp,gas	262.62	J/mol×K	515.33	Calculated Property
Cp,gas	286.24	J/mol×K	596.11	Calculated Property
Cp,gas	307.34	J/mol×K	676.89	Calculated Property
Cp,gas	325.78	J/mol×K	757.67	Calculated Property
Cp,gas	341.42	J/mol×K	838.44	Calculated Property
Cp,gas	354.12	J/mol×K	919.22	Calculated Property
Cp,gas	363.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0037752; 0.0002579]	Pa×s	[251.86; 444.74]	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			-1.17674e+01
Coefficient B			1.55853e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			251.86
Temperature range, max.			444.74
η	0.0037752	Pa×s	251.86	Calculated Property
η	0.0023238	Pa×s	273.29	Calculated Property
η	0.0015349	Pa×s	294.72	Calculated Property
η	0.0010725	Pa×s	316.15	Calculated Property
η	0.0007843	Pa×s	337.59	Calculated Property
η	0.0005954	Pa×s	359.02	Calculated Property
η	0.0004662	Pa×s	380.45	Calculated Property
η	0.0003747	Pa×s	401.88	Calculated Property
η	0.0003079	Pa×s	423.31	Calculated Property
η	0.0002579	Pa×s	444.74	Calculated Property

Similar Compounds

Find more compounds similar to 1-Acetoxy-2-(2-chloroethoxy)ethane.

Sources

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

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