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

• 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	0.6333		Relay (1.0) Calculated Property
ΔfG°	-436.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-694.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.93	kJ/mol	Joback Calculated Property
ΔvapH°	63.00	kJ/mol	Relay (1.0) Calculated Property
IE	9.94	eV	Relay (1.0) Calculated Property
log10WS	-0.12		Relay (1.0) Calculated Property
logPoct/wat	0.710		Crippen Calculated Property
McVol	122.800	ml/mol	McGowan Calculated Property
Pc	3177.55	kPa	Joback Calculated Property
Inp	[902.00; 910.00]
Inp	910.00		NIST
Inp	902.00		NIST
Inp	910.00		NIST
I	[1280.00; 1303.00]
I	1301.00		NIST
I	Outlier 1280.00		NIST
I	1299.00		NIST
I	1303.00		NIST
I	1299.00		NIST
I	1301.00		NIST
Tboil	443.72	K	Relay (1.0) Calculated Property
Tc	632.77	K	Relay (1.0) Calculated Property
Tfus	239.14	K	Relay (1.0) Calculated Property
Vc	0.466	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[288.25; 345.43]	J/mol×K	[506.93; 683.19]
Cp,gas	288.25	J/mol×K	506.93	Joback Calculated Property
Cp,gas	299.06	J/mol×K	536.31	Joback Calculated Property
Cp,gas	309.35	J/mol×K	565.68	Joback Calculated Property
Cp,gas	319.11	J/mol×K	595.06	Joback Calculated Property
Cp,gas	328.37	J/mol×K	624.44	Joback Calculated Property
Cp,gas	337.14	J/mol×K	653.81	Joback Calculated Property
Cp,gas	345.43	J/mol×K	683.19	Joback Calculated Property
η	[0.0001310; 0.0339385]	Pa×s	[274.22; 506.93]
η	0.0339385	Pa×s	274.22	Joback Calculated Property
η	0.0075732	Pa×s	313.00	Joback Calculated Property
η	0.0023523	Pa×s	351.79	Joback Calculated Property
η	0.0009217	Pa×s	390.57	Joback Calculated Property
η	0.0004277	Pa×s	429.36	Joback Calculated Property
η	0.0002254	Pa×s	468.14	Joback Calculated Property
η	0.0001310	Pa×s	506.93	Joback Calculated Property

Similar Compounds

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

Sources

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

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