Chemical Properties of 3-Hydroxy-3-methylvaleric acid (CAS 150-96-9)

InChI

InChI=1S/C6H12O3/c1-3-6(2,9)4-5(7)8/h9H,3-4H2,1-2H3,(H,7,8)

InChI Key

KEGHVPSZIWXTPY-UHFFFAOYSA-N

Formula

C6H12O3

SMILES

CCC(C)(O)CC(=O)O

Molecular Weight¹

132.16

CAS

150-96-9

Other Names

• 3-Hydroxy-3-methylpentanoic acid

• 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 : 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°	-400.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-592.96	kJ/mol	Joback Calculated Property
ΔfusH°	13.66	kJ/mol	Joback Calculated Property
ΔvapH°	67.76	kJ/mol	Joback Calculated Property
log10WS	-0.81		Crippen Calculated Property
logPoct/wat	0.622		Crippen Calculated Property
McVol	108.710	ml/mol	McGowan Calculated Property
Pc	4283.05	kPa	Joback Calculated Property
I	[2288.00; 2288.00]
I	2288.00		NIST
I	2288.00		NIST
Tboil	571.68	K	Joback Calculated Property
Tc	745.53	K	Joback Calculated Property
Tfus	331.37	K	Joback Calculated Property
Vc	0.405	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[271.59; 314.36]	J/mol×K	[571.68; 745.53]
Cp,gas	271.59	J/mol×K	571.68	Joback Calculated Property
Cp,gas	279.74	J/mol×K	600.66	Joback Calculated Property
Cp,gas	287.45	J/mol×K	629.63	Joback Calculated Property
Cp,gas	294.75	J/mol×K	658.61	Joback Calculated Property
Cp,gas	301.65	J/mol×K	687.58	Joback Calculated Property
Cp,gas	308.18	J/mol×K	716.56	Joback Calculated Property
Cp,gas	314.36	J/mol×K	745.53	Joback Calculated Property
η	[0.0000496; 0.0218901]	Pa×s	[331.37; 571.68]
η	0.0218901	Pa×s	331.37	Joback Calculated Property
η	0.0045887	Pa×s	371.42	Joback Calculated Property
η	0.0013039	Pa×s	411.47	Joback Calculated Property
η	0.0004632	Pa×s	451.52	Joback Calculated Property
η	0.0001947	Pa×s	491.58	Joback Calculated Property
η	0.0000933	Pa×s	531.63	Joback Calculated Property
η	0.0000496	Pa×s	571.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Hydroxy-3-methylvaleric acid.

Sources

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

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