Chemical Properties of Diethoxymethyl acetate (CAS 14036-06-7)

InChI

InChI=1S/C7H14O4/c1-4-9-7(10-5-2)11-6(3)8/h7H,4-5H2,1-3H3

InChI Key

IRUNKQSGDBYUDC-UHFFFAOYSA-N

Formula

C7H14O4

SMILES

CCOC(OCC)OC(C)=O

Molecular Weight¹

162.18

CAS

14036-06-7

Other Names

• Methanol, diethoxy-, 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_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	0.4824		Relay (1.0) Calculated Property
ΔfG°	-514.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-840.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.11	kJ/mol	Joback Calculated Property
ΔvapH°	58.69	kJ/mol	Relay (1.0) Calculated Property
IE	9.99	eV	Relay (1.0) Calculated Property
log10WS	-0.41		Relay (1.0) Calculated Property
logPoct/wat	0.906		Crippen Calculated Property
McVol	128.670	ml/mol	McGowan Calculated Property
Pc	2738.28	kPa	Joback Calculated Property
Inp	[992.00; 992.00]
Inp	992.00		NIST
Inp	992.00		NIST
Tboil	420.61	K	Relay (1.0) Calculated Property
Tc	593.62	K	Relay (1.0) Calculated Property
Tfus	198.99	K	Relay (1.0) Calculated Property
Vc	0.499	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[200.81; 426.11]	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			7.12520e+01
Coefficient B			4.93560e-01
Coefficient C			-4.36000e-05
Coefficient D			-9.51000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	200.81	J/mol×K	273.00	Calculated Property
Cp,gas	236.19	J/mol×K	353.78	Calculated Property
Cp,gas	269.69	J/mol×K	434.56	Calculated Property
Cp,gas	301.01	J/mol×K	515.33	Calculated Property
Cp,gas	329.83	J/mol×K	596.11	Calculated Property
Cp,gas	355.87	J/mol×K	676.89	Calculated Property
Cp,gas	378.81	J/mol×K	757.67	Calculated Property
Cp,gas	398.37	J/mol×K	838.44	Calculated Property
Cp,gas	414.24	J/mol×K	919.22	Calculated Property
Cp,gas	426.11	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0045478; 0.0001942]	Pa×s	[240.44; 446.92]	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			-1.22193e+01
Coefficient B			1.64128e+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.			240.44
Temperature range, max.			446.92
η	0.0045478	Pa×s	240.44	Calculated Property
η	0.0025094	Pa×s	263.38	Calculated Property
η	0.0015230	Pa×s	286.33	Calculated Property
η	0.0009955	Pa×s	309.27	Calculated Property
η	0.0006900	Pa×s	332.21	Calculated Property
η	0.0005015	Pa×s	355.15	Calculated Property
η	0.0003789	Pa×s	378.10	Calculated Property
η	0.0002955	Pa×s	401.04	Calculated Property
η	0.0002368	Pa×s	423.98	Calculated Property
η	0.0001942	Pa×s	446.92	Calculated Property

Similar Compounds

Find more compounds similar to Diethoxymethyl acetate.

Sources

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

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