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

• 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	0.7192		Relay (1.0) Calculated Property
ΔfG°	-407.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-702.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.03	kJ/mol	Joback Calculated Property
ΔvapH°	89.83	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	4266.28	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	695.21	K	Relay (1.0) Calculated Property
Tfus	324.46	K	Relay (1.0) Calculated Property
Vc	0.377	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[268.65; 312.20]	J/mol×K	[574.03; 745.52]
Cp,gas	268.65	J/mol×K	574.03	Joback Calculated Property
Cp,gas	276.80	J/mol×K	602.61	Joback Calculated Property
Cp,gas	284.57	J/mol×K	631.19	Joback Calculated Property
Cp,gas	291.99	J/mol×K	659.77	Joback Calculated Property
Cp,gas	299.06	J/mol×K	688.35	Joback Calculated Property
Cp,gas	305.80	J/mol×K	716.93	Joback Calculated Property
Cp,gas	312.20	J/mol×K	745.52	Joback Calculated Property
η	[0.0000469; 0.0791815]	Pa×s	[298.95; 574.03]
η	0.0791815	Pa×s	298.95	Joback Calculated Property
η	0.0100700	Pa×s	344.80	Joback Calculated Property
η	0.0020780	Pa×s	390.64	Joback Calculated Property
η	0.0005974	Pa×s	436.49	Joback Calculated Property
η	0.0002177	Pa×s	482.34	Joback Calculated Property
η	0.0000945	Pa×s	528.18	Joback Calculated Property
η	0.0000469	Pa×s	574.03	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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