Chemical Properties of Butanoic acid, 2-hydroxy-2-methyl-, ethyl ester (CAS 77-70-3)

InChI

InChI=1S/C7H14O3/c1-4-7(3,9)6(8)10-5-2/h9H,4-5H2,1-3H3

InChI Key

KIYWRWLZHQZKKD-UHFFFAOYSA-N

Formula

C7H14O3

SMILES

CCOC(=O)C(C)(O)CC

Molecular Weight¹

146.18

CAS

77-70-3

Other Names

• ethyl 2-hydroxy-2-methylbutanoate
• ethyl 2-hydroxy-2-methylbutyrate

• 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).
• 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
ΔfG°	-359.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-593.59	kJ/mol	Joback Calculated Property
ΔfusH°	13.35	kJ/mol	Joback Calculated Property
ΔvapH°	55.72	kJ/mol	Joback Calculated Property
log10WS	-0.99		Crippen Calculated Property
logPoct/wat	0.710		Crippen Calculated Property
McVol	122.800	ml/mol	McGowan Calculated Property
Pc	3329.68	kPa	Joback Calculated Property
Inp	[902.00; 910.00]
Inp	910.00		NIST
Inp	902.00		NIST
I	[1280.00; 1303.00]
I	1301.00		NIST
I	1280.00		NIST
I	1299.00		NIST
I	1303.00		NIST
I	1280.00		NIST
Tboil	524.80	K	Joback Calculated Property
Tc	703.84	K	Joback Calculated Property
Tfus	304.05	K	Joback Calculated Property
Vc	0.460	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[291.93; 347.85]	J/mol×K	[524.80; 703.84]
Cp,gas	291.93	J/mol×K	524.80	Joback Calculated Property
Cp,gas	302.45	J/mol×K	554.64	Joback Calculated Property
Cp,gas	312.47	J/mol×K	584.48	Joback Calculated Property
Cp,gas	322.01	J/mol×K	614.32	Joback Calculated Property
Cp,gas	331.07	J/mol×K	644.16	Joback Calculated Property
Cp,gas	339.68	J/mol×K	674.00	Joback Calculated Property
Cp,gas	347.85	J/mol×K	703.84	Joback Calculated Property
η	[0.0001267; 0.0121392]	Pa×s	[304.05; 524.80]
η	0.0121392	Pa×s	304.05	Joback Calculated Property
η	0.0037644	Pa×s	340.84	Joback Calculated Property
η	0.0014665	Pa×s	377.63	Joback Calculated Property
η	0.0006754	Pa×s	414.42	Joback Calculated Property
η	0.0003530	Pa×s	451.22	Joback Calculated Property
η	0.0002034	Pa×s	488.01	Joback Calculated Property
η	0.0001267	Pa×s	524.80	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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