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

• 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 : 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	0.7504		Relay (1.0) Calculated Property
ΔfG°	-478.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-719.89	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.11	kJ/mol	Joback Calculated Property
ΔvapH°	82.88	kJ/mol	Relay (1.0) Calculated Property
IE	10.17	eV	Relay (1.0) Calculated Property
log10WS	0.61		Relay (1.0) Calculated Property
logPoct/wat	0.622		Crippen Calculated Property
McVol	108.710	ml/mol	McGowan Calculated Property
Pc	3935.71	kPa	Joback Calculated Property
I	[2288.00; 2288.00]
I	2288.00		NIST
I	2288.00		NIST
Tboil	489.55	K	Relay (1.0) Calculated Property
Tc	703.75	K	Relay (1.0) Calculated Property
Tfus	327.97	K	Relay (1.0) Calculated Property
Vc	0.394	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[274.24; 320.27]	J/mol×K	[571.34; 760.81]
Cp,gas	274.24	J/mol×K	571.34	Joback Calculated Property
Cp,gas	283.15	J/mol×K	602.92	Joback Calculated Property
Cp,gas	291.52	J/mol×K	634.50	Joback Calculated Property
Cp,gas	299.39	J/mol×K	666.08	Joback Calculated Property
Cp,gas	306.78	J/mol×K	697.65	Joback Calculated Property
Cp,gas	313.73	J/mol×K	729.23	Joback Calculated Property
Cp,gas	320.27	J/mol×K	760.81	Joback Calculated Property
η	[0.0001038; 0.0024130]	Pa×s	[381.22; 571.34]
η	0.0024130	Pa×s	381.22	Joback Calculated Property
η	0.0011680	Pa×s	412.91	Joback Calculated Property
η	0.0006269	Pa×s	444.59	Joback Calculated Property
η	0.0003656	Pa×s	476.28	Joback Calculated Property
η	0.0002280	Pa×s	507.97	Joback Calculated Property
η	0.0001503	Pa×s	539.65	Joback Calculated Property
η	0.0001038	Pa×s	571.34	Joback Calculated Property

Similar Compounds

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

Sources

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

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