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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[158.26; 359.40]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.96100e+00
Coefficient B			6.70440e-01
Coefficient C			-4.12000e-04
Coefficient D			9.70000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	158.26	J/mol×K	273.00	Calculated Property
Cp,gas	193.88	J/mol×K	353.78	Calculated Property
Cp,gas	225.46	J/mol×K	434.56	Calculated Property
Cp,gas	253.32	J/mol×K	515.33	Calculated Property
Cp,gas	277.76	J/mol×K	596.11	Calculated Property
Cp,gas	299.09	J/mol×K	676.89	Calculated Property
Cp,gas	317.61	J/mol×K	757.67	Calculated Property
Cp,gas	333.63	J/mol×K	838.44	Calculated Property
Cp,gas	347.46	J/mol×K	919.22	Calculated Property
Cp,gas	359.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0047252; 0.0001580]	Pa×s	[348.80; 532.18]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.52160e+01
Coefficient B			3.43957e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			348.80
Temperature range, max.			532.18
η	0.0047252	Pa×s	348.80	Calculated Property
η	0.0027419	Pa×s	369.18	Calculated Property
η	0.0016843	Pa×s	389.55	Calculated Property
η	0.0010860	Pa×s	409.93	Calculated Property
η	0.0007299	Pa×s	430.30	Calculated Property
η	0.0005085	Pa×s	450.68	Calculated Property
η	0.0003656	Pa×s	471.05	Calculated Property
η	0.0002701	Pa×s	491.43	Calculated Property
η	0.0002044	Pa×s	511.80	Calculated Property
η	0.0001580	Pa×s	532.18	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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