Chemical Properties of Butanoic acid, 2-hydroxy-, ethyl ester

InChI

InChI=1S/C6H12O3/c1-3-5(7)6(8)9-4-2/h5,7H,3-4H2,1-2H3

InChI Key

KWWOQRSLYPHAMK-UHFFFAOYSA-N

Formula

C6H12O3

SMILES

CCOC(=O)C(O)CC

Molecular Weight¹

132.16

Other Names

• 2-Hydroxybutyric acid ethyl ester
• Ethyl 2-hydroxybitanoate
• Ethyl 2-hydroxybutanoate
• Ethyl 2-hydroxybutyrate
• Ethyl «alpha»-hydroxybutyrate

• 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	0.6263		Relay (1.0) Calculated Property
ΔfG°	-449.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-673.01	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.23	kJ/mol	Joback Calculated Property
ΔvapH°	62.08	kJ/mol	Relay (1.0) Calculated Property
IE	10.01	eV	Relay (1.0) Calculated Property
log10WS	0.30		Relay (1.0) Calculated Property
logPoct/wat	0.320		Crippen Calculated Property
McVol	108.710	ml/mol	McGowan Calculated Property
Pc	3505.43	kPa	Joback Calculated Property
Inp	[910.00; 910.00]
Inp	910.00		NIST
Inp	910.00		NIST
Inp	910.00		NIST
I	[1396.00; 1401.00]
I	1396.00		NIST
I	1400.00		NIST
I	1400.00		NIST
I	1401.00		NIST
I	1399.00		NIST
I	1396.00		NIST
I	1400.00		NIST
Tboil	435.46	K	Relay (1.0) Calculated Property
Tc	630.56	K	Relay (1.0) Calculated Property
Tfus	258.60	K	Relay (1.0) Calculated Property
Vc	0.417	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[242.73; 293.23]	J/mol×K	[486.84; 658.27]
Cp,gas	242.73	J/mol×K	486.84	Joback Calculated Property
Cp,gas	252.05	J/mol×K	515.41	Joback Calculated Property
Cp,gas	261.01	J/mol×K	543.98	Joback Calculated Property
Cp,gas	269.60	J/mol×K	572.55	Joback Calculated Property
Cp,gas	277.84	J/mol×K	601.12	Joback Calculated Property
Cp,gas	285.71	J/mol×K	629.70	Joback Calculated Property
Cp,gas	293.23	J/mol×K	658.27	Joback Calculated Property
η	[0.0001535; 0.0685791]	Pa×s	[245.53; 486.84]
η	0.0685791	Pa×s	245.53	Joback Calculated Property
η	0.0121260	Pa×s	285.75	Joback Calculated Property
η	0.0032880	Pa×s	325.97	Joback Calculated Property
η	0.0011875	Pa×s	366.18	Joback Calculated Property
η	0.0005247	Pa×s	406.40	Joback Calculated Property
η	0.0002686	Pa×s	446.62	Joback Calculated Property
η	0.0001535	Pa×s	486.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, 2-hydroxy-, ethyl ester.

Sources

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

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