Chemical Properties of Butanoic acid, 2-hydroxy-3-methyl-, methyl ester

InChI

InChI=1S/C6H12O3/c1-4(2)5(7)6(8)9-3/h4-5,7H,1-3H3

InChI Key

YSGBMDFJWFIEDF-UHFFFAOYSA-N

Formula

C6H12O3

SMILES

COC(=O)C(O)C(C)C

Molecular Weight¹

132.16

Other Names

• Butanoic acid, 2-hydroxy-3-methyl-, methyl ester
• Methyl 2-hydroxy-3-methylbutanoate
• Methyl 2-hydroxy-3-methylbutyrate
• Methyl 3-methyl 2-hydroxybutanoate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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	0.5976		Relay (1.0) Calculated Property
ΔfH°gas	-659.65	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.71	kJ/mol	Joback Calculated Property
ΔvapH°	61.98	kJ/mol	Relay (1.0) Calculated Property
IE	10.16	eV	Relay (1.0) Calculated Property
logPoct/wat	0.176		Crippen Calculated Property
McVol	108.710	ml/mol	McGowan Calculated Property
Pc	3538.87	kPa	Joback Calculated Property
Inp	[889.00; 889.00]
Inp	889.00		NIST
Inp	889.00		NIST
I	[1383.00; 1396.00]
I	1396.00		NIST
I	1383.00		NIST
I	1386.00		NIST
I	1383.00		NIST
I	1396.00		NIST
I	1383.00		NIST
Tboil	420.72	K	Relay (1.0) Calculated Property
Tc	626.60	K	Relay (1.0) Calculated Property
Tfus	285.52	K	Relay (1.0) Calculated Property
Vc	0.396	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[242.97; 294.71]	J/mol×K	[486.40; 661.35]
Cp,gas	242.97	J/mol×K	486.40	Joback Calculated Property
Cp,gas	252.55	J/mol×K	515.56	Joback Calculated Property
Cp,gas	261.75	J/mol×K	544.72	Joback Calculated Property
Cp,gas	270.56	J/mol×K	573.87	Joback Calculated Property
Cp,gas	278.99	J/mol×K	603.03	Joback Calculated Property
Cp,gas	287.04	J/mol×K	632.19	Joback Calculated Property
Cp,gas	294.71	J/mol×K	661.35	Joback Calculated Property
η	[0.0001460; 0.1574393]	Pa×s	[230.53; 486.40]
η	0.1574393	Pa×s	230.53	Joback Calculated Property
η	0.0198192	Pa×s	273.18	Joback Calculated Property
η	0.0043664	Pa×s	315.82	Joback Calculated Property
η	0.0013787	Pa×s	358.46	Joback Calculated Property
η	0.0005563	Pa×s	401.11	Joback Calculated Property
η	0.0002672	Pa×s	443.75	Joback Calculated Property
η	0.0001460	Pa×s	486.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, 2-hydroxy-3-methyl-, methyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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