Chemical Properties of 4-hydroxy-3-methylpentanoic acid

InChI

InChI=1S/C6H12O3/c1-4(5(2)7)3-6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)

InChI Key

BNTHHYUWQILHSA-UHFFFAOYSA-N

Formula

C6H12O3

SMILES

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

Molecular Weight¹

132.16

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-702.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.48	kJ/mol	Joback Calculated Property
ΔvapH°	89.44	kJ/mol	Relay (1.0) Calculated Property
IE	10.14	eV	Relay (1.0) Calculated Property
log10WS	0.55		Relay (1.0) Calculated Property
logPoct/wat	0.478		Crippen Calculated Property
McVol	108.710	ml/mol	McGowan Calculated Property
Pc	3920.94	kPa	Joback Calculated Property
I	[2642.00; 2642.00]
I	2642.00		NIST
I	2642.00		NIST
Tboil	495.29	K	Relay (1.0) Calculated Property
Tc	703.35	K	Relay (1.0) Calculated Property
Tfus	321.35	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[271.30; 318.16]	J/mol×K	[573.69; 760.25]
Cp,gas	271.30	J/mol×K	573.69	Joback Calculated Property
Cp,gas	280.19	J/mol×K	604.78	Joback Calculated Property
Cp,gas	288.63	J/mol×K	635.88	Joback Calculated Property
Cp,gas	296.63	J/mol×K	666.97	Joback Calculated Property
Cp,gas	304.20	J/mol×K	698.06	Joback Calculated Property
Cp,gas	311.37	J/mol×K	729.16	Joback Calculated Property
Cp,gas	318.16	J/mol×K	760.25	Joback Calculated Property
η	[0.0000990; 0.0047252]	Pa×s	[348.80; 573.69]
η	0.0047252	Pa×s	348.80	Joback Calculated Property
η	0.0018150	Pa×s	386.28	Joback Calculated Property
η	0.0008257	Pa×s	423.76	Joback Calculated Property
η	0.0004269	Pa×s	461.25	Joback Calculated Property
η	0.0002438	Pa×s	498.73	Joback Calculated Property
η	0.0001505	Pa×s	536.21	Joback Calculated Property
η	0.0000990	Pa×s	573.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-hydroxy-3-methylpentanoic acid.

Sources

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

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