Chemical Properties of Acetic acid, hydroxy-, ethyl ester (CAS 623-50-7)

InChI

InChI=1S/C4H8O3/c1-2-7-4(6)3-5/h5H,2-3H2,1H3

InChI Key

ZANNOFHADGWOLI-UHFFFAOYSA-N

Formula

C4H8O3

SMILES

CCOC(=O)CO

Molecular Weight¹

104.10

CAS

623-50-7

Other Names

• Ethyl glycolate
• Ethyl hydroxyacetate
• Glycolic acid, ethyl ester
• HOCH2COOC2H5
• Hydroxyacetic acid ethyl ester
• ethyl glycollate

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• I_p : 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	0.6384		Relay (1.0) Calculated Property
ΔfG°	-464.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-611.81	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.57	kJ/mol	Joback Calculated Property
ΔvapH°	54.72	kJ/mol	Relay (1.0) Calculated Property
IE	10.24	eV	Relay (1.0) Calculated Property
log10WS	0.58		Relay (1.0) Calculated Property
logPoct/wat	-0.458		Crippen Calculated Property
McVol	80.530	ml/mol	McGowan Calculated Property
Pc	4414.96	kPa	Joback Calculated Property
Ip	[1436.00; 1436.00]
Ip	1436.00		NIST
Ip	1436.00		NIST
Tboil	[431.70; 433.20]	K
Tboil	431.70	K	NIST
Tboil	433.20	K	NIST
Tc	646.89	K	Relay (1.0) Calculated Property
Tfus	244.74	K	Relay (1.0) Calculated Property
Vc	0.301	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[119.18; 252.47]	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			2.99520e+01
Coefficient B			3.63020e-01
Coefficient C			-1.29600e-04
Coefficient D			-1.09000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	119.18	J/mol×K	273.00	Calculated Property
Cp,gas	141.68	J/mol×K	353.78	Calculated Property
Cp,gas	162.34	J/mol×K	434.56	Calculated Property
Cp,gas	181.12	J/mol×K	515.33	Calculated Property
Cp,gas	197.99	J/mol×K	596.11	Calculated Property
Cp,gas	212.92	J/mol×K	676.89	Calculated Property
Cp,gas	225.86	J/mol×K	757.67	Calculated Property
Cp,gas	236.79	J/mol×K	838.44	Calculated Property
Cp,gas	245.67	J/mol×K	919.22	Calculated Property
Cp,gas	252.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0525196; 0.0002839]	Pa×s	[237.99; 428.25]	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			-1.46966e+01
Coefficient B			2.79639e+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.			237.99
Temperature range, max.			428.25
η	0.0525196	Pa×s	237.99	Calculated Property
η	0.0201383	Pa×s	259.13	Calculated Property
η	0.0089233	Pa×s	280.27	Calculated Property
η	0.0044321	Pa×s	301.41	Calculated Property
η	0.0024129	Pa×s	322.55	Calculated Property
η	0.0014156	Pa×s	343.69	Calculated Property
η	0.0008835	Pa×s	364.83	Calculated Property
η	0.0005806	Pa×s	385.97	Calculated Property
η	0.0003986	Pa×s	407.11	Calculated Property
η	0.0002839	Pa×s	428.25	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.13; 100.53]	kPa	[287.40; 431.40]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.63242e+01
Coefficient B			-4.66992e+03
Coefficient C			-3.27310e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			287.40
Temperature range, max.			431.40
Pvap	0.13	kPa	287.40	Calculated Property
Pvap	0.39	kPa	303.40	Calculated Property
Pvap	1.03	kPa	319.40	Calculated Property
Pvap	2.45	kPa	335.40	Calculated Property
Pvap	5.31	kPa	351.40	Calculated Property
Pvap	10.70	kPa	367.40	Calculated Property
Pvap	20.23	kPa	383.40	Calculated Property
Pvap	36.17	kPa	399.40	Calculated Property
Pvap	61.60	kPa	415.40	Calculated Property
Pvap	100.53	kPa	431.40	Calculated Property

Similar Compounds

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

Sources

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

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