Chemical Properties of Acetic acid, diethoxy-, ethyl ester (CAS 6065-82-3)

InChI

InChI=1S/C8H16O4/c1-4-10-7(9)8(11-5-2)12-6-3/h8H,4-6H2,1-3H3

InChI Key

XCLBIKIQSCTANZ-UHFFFAOYSA-N

Formula

C8H16O4

SMILES

CCOC(=O)C(OCC)OCC

Molecular Weight¹

176.21

CAS

6065-82-3

Other Names

• Diethoxyacetic acid ethyl ester
• Ethyl diethoxyacetate

• 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.
• 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	0.5336		Relay (1.0) Calculated Property
ΔfG°	-506.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-817.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.70	kJ/mol	Joback Calculated Property
ΔvapH°	58.82	kJ/mol	Relay (1.0) Calculated Property
IE	9.44	eV	Relay (1.0) Calculated Property
log10WS	-0.53		Relay (1.0) Calculated Property
logPoct/wat	0.949		Crippen Calculated Property
McVol	142.760	ml/mol	McGowan Calculated Property
Pc	2482.59	kPa	Joback Calculated Property
Inp	[1092.00; 1092.00]
Inp	1092.00		NIST
Inp	1092.00		NIST
I	[1475.00; 1487.00]
I	1487.00		NIST
I	1475.00		NIST
I	1487.00		NIST
I	1487.00		NIST
Tboil	472.20	K	NIST
Tc	623.81	K	Relay (1.0) Calculated Property
Tfus	236.91	K	Relay (1.0) Calculated Property
Vc	0.544	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[323.36; 392.15]	J/mol×K	[485.26; 659.90]
Cp,gas	323.36	J/mol×K	485.26	Joback Calculated Property
Cp,gas	335.83	J/mol×K	514.37	Joback Calculated Property
Cp,gas	347.91	J/mol×K	543.47	Joback Calculated Property
Cp,gas	359.59	J/mol×K	572.58	Joback Calculated Property
Cp,gas	370.87	J/mol×K	601.69	Joback Calculated Property
Cp,gas	381.73	J/mol×K	630.79	Joback Calculated Property
Cp,gas	392.15	J/mol×K	659.90	Joback Calculated Property
η	[0.0001570; 0.0043364]	Pa×s	[251.71; 485.26]
η	0.0043364	Pa×s	251.71	Joback Calculated Property
η	0.0017223	Pa×s	290.63	Joback Calculated Property
η	0.0008508	Pa×s	329.56	Joback Calculated Property
η	0.0004878	Pa×s	368.49	Joback Calculated Property
η	0.0003110	Pa×s	407.41	Joback Calculated Property
η	0.0002145	Pa×s	446.34	Joback Calculated Property
η	0.0001570	Pa×s	485.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, diethoxy-, ethyl ester.

Sources

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

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