Chemical Properties of Butanoic acid, 2-hydroxy-2-methyl-, methyl ester (CAS 32793-34-3)

InChI

InChI=1S/C6H12O3/c1-4-6(2,8)5(7)9-3/h8H,4H2,1-3H3

InChI Key

FMXYCZVOMYLMKM-UHFFFAOYSA-N

Formula

C6H12O3

SMILES

CCC(C)(O)C(=O)OC

Molecular Weight¹

132.16

CAS

32793-34-3

Other Names

• methyl 2-hydroxy-2-methylbutanoate

• 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°	-368.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-572.95	kJ/mol	Joback Calculated Property
ΔfusH°	10.76	kJ/mol	Joback Calculated Property
ΔvapH°	53.49	kJ/mol	Joback Calculated Property
log10WS	-0.57		Crippen Calculated Property
logPoct/wat	0.320		Crippen Calculated Property
McVol	108.710	ml/mol	McGowan Calculated Property
Pc	3731.66	kPa	Joback Calculated Property
Inp	923.00		NIST
I	[1272.00; 1281.00]
I	1272.00		NIST
I	1281.00		NIST
Tboil	501.92	K	Joback Calculated Property
Tc	682.72	K	Joback Calculated Property
Tfus	292.78	K	Joback Calculated Property
Vc	0.404	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[248.95; 299.73]	J/mol×K	[501.92; 682.72]
Cp,gas	248.95	J/mol×K	501.92	Joback Calculated Property
Cp,gas	258.51	J/mol×K	532.05	Joback Calculated Property
Cp,gas	267.61	J/mol×K	562.19	Joback Calculated Property
Cp,gas	276.27	J/mol×K	592.32	Joback Calculated Property
Cp,gas	284.51	J/mol×K	622.45	Joback Calculated Property
Cp,gas	292.32	J/mol×K	652.58	Joback Calculated Property
Cp,gas	299.73	J/mol×K	682.72	Joback Calculated Property
η	[0.0001543; 0.0147388]	Pa×s	[292.78; 501.92]
η	0.0147388	Pa×s	292.78	Joback Calculated Property
η	0.0046012	Pa×s	327.64	Joback Calculated Property
η	0.0017968	Pa×s	362.49	Joback Calculated Property
η	0.0008275	Pa×s	397.35	Joback Calculated Property
η	0.0004319	Pa×s	432.21	Joback Calculated Property
η	0.0002484	Pa×s	467.06	Joback Calculated Property
η	0.0001543	Pa×s	501.92	Joback Calculated Property

Similar Compounds

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

Sources

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

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