Chemical Properties of Ethyl 4-acetoxybutanoate (CAS 25560-91-2)

InChI

InChI=1S/C8H14O4/c1-3-11-8(10)5-4-6-12-7(2)9/h3-6H2,1-2H3

InChI Key

KMPQIYXXLIFPKA-UHFFFAOYSA-N

Formula

C8H14O4

SMILES

CCOC(=O)CCCOC(C)=O

Molecular Weight¹

174.19

CAS

25560-91-2

• 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	0.6053		Relay (1.0) Calculated Property
ΔfG°	-604.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-848.34	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.21	kJ/mol	Joback Calculated Property
ΔvapH°	67.18	kJ/mol	Relay (1.0) Calculated Property
IE	9.73	eV	Relay (1.0) Calculated Property
log10WS	-0.89		Relay (1.0) Calculated Property
logPoct/wat	0.893		Crippen Calculated Property
McVol	138.460	ml/mol	McGowan Calculated Property
Pc	2561.10	kPa	Joback Calculated Property
Inp	[1195.50; 1195.50]
Inp	1195.50		NIST
Inp	1195.50		NIST
Tboil	495.67	K	Relay (1.0) Calculated Property
Tc	660.31	K	Relay (1.0) Calculated Property
Tfus	248.96	K	Relay (1.0) Calculated Property
Vc	0.543	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[207.87; 448.27]	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			4.64340e+01
Coefficient B			6.54240e-01
Coefficient C			-2.22200e-04
Coefficient D			-3.02000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	207.87	J/mol×K	273.00	Calculated Property
Cp,gas	248.74	J/mol×K	353.78	Calculated Property
Cp,gas	286.30	J/mol×K	434.56	Calculated Property
Cp,gas	320.44	J/mol×K	515.33	Calculated Property
Cp,gas	351.08	J/mol×K	596.11	Calculated Property
Cp,gas	378.11	J/mol×K	676.89	Calculated Property
Cp,gas	401.44	J/mol×K	757.67	Calculated Property
Cp,gas	420.97	J/mol×K	838.44	Calculated Property
Cp,gas	436.62	J/mol×K	919.22	Calculated Property
Cp,gas	448.27	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0052925; 0.0002437]	Pa×s	[264.58; 474.02]	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			-1.22078e+01
Coefficient B			1.84316e+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.			264.58
Temperature range, max.			474.02
η	0.0052925	Pa×s	264.58	Calculated Property
η	0.0030135	Pa×s	287.85	Calculated Property
η	0.0018667	Pa×s	311.12	Calculated Property
η	0.0012360	Pa×s	334.39	Calculated Property
η	0.0008635	Pa×s	357.67	Calculated Property
η	0.0006303	Pa×s	380.94	Calculated Property
η	0.0004770	Pa×s	404.21	Calculated Property
η	0.0003722	Pa×s	427.48	Calculated Property
η	0.0002979	Pa×s	450.75	Calculated Property
η	0.0002437	Pa×s	474.02	Calculated Property

Similar Compounds

Find more compounds similar to Ethyl 4-acetoxybutanoate.

Sources

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

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