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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[222.02; 477.70]	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			7.03430e+01
Coefficient B			5.88560e-01
Coefficient C			-9.80000e-05
Coefficient D			-8.32000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	222.02	J/mol×K	273.00	Calculated Property
Cp,gas	262.61	J/mol×K	353.78	Calculated Property
Cp,gas	300.77	J/mol×K	434.56	Calculated Property
Cp,gas	336.24	J/mol×K	515.33	Calculated Property
Cp,gas	368.74	J/mol×K	596.11	Calculated Property
Cp,gas	398.03	J/mol×K	676.89	Calculated Property
Cp,gas	423.83	J/mol×K	757.67	Calculated Property
Cp,gas	445.89	J/mol×K	838.44	Calculated Property
Cp,gas	463.93	J/mol×K	919.22	Calculated Property
Cp,gas	477.70	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0043364; 0.0001881]	Pa×s	[251.71; 461.93]	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			-1.23353e+01
Coefficient B			1.73544e+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.			251.71
Temperature range, max.			461.93
η	0.0043364	Pa×s	251.71	Calculated Property
η	0.0024147	Pa×s	275.07	Calculated Property
η	0.0014737	Pa×s	298.43	Calculated Property
η	0.0009662	Pa×s	321.78	Calculated Property
η	0.0006708	Pa×s	345.14	Calculated Property
η	0.0004877	Pa×s	368.50	Calculated Property
η	0.0003683	Pa×s	391.86	Calculated Property
η	0.0002871	Pa×s	415.21	Calculated Property
η	0.0002298	Pa×s	438.57	Calculated Property
η	0.0001881	Pa×s	461.93	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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