Chemical Properties of Valeric acid, 3-hydroxy-2,2,4-trimethyl-

InChI

InChI=1S/C8H16O3/c1-5(2)6(9)8(3,4)7(10)11/h5-6,9H,1-4H3,(H,10,11)

InChI Key

OJLBQZJKORZRDZ-UHFFFAOYSA-N

Formula

C8H16O3

SMILES

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

Molecular Weight¹

160.21

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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	[199.23; 464.05]	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			-2.23300e+01
Coefficient B			9.86280e-01
Coefficient C			-6.92600e-04
Coefficient D			1.92700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	199.23	J/mol×K	273.00	Calculated Property
Cp,gas	248.44	J/mol×K	353.78	Calculated Property
Cp,gas	291.29	J/mol×K	434.56	Calculated Property
Cp,gas	328.37	J/mol×K	515.33	Calculated Property
Cp,gas	360.31	J/mol×K	596.11	Calculated Property
Cp,gas	387.70	J/mol×K	676.89	Calculated Property
Cp,gas	411.16	J/mol×K	757.67	Calculated Property
Cp,gas	431.30	J/mol×K	838.44	Calculated Property
Cp,gas	448.73	J/mol×K	919.22	Calculated Property
Cp,gas	464.05	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0036777; 0.0001096]	Pa×s	[373.76; 565.84]	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			-1.59555e+01
Coefficient B			3.86843e+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.			373.76
Temperature range, max.			565.84
η	0.0036777	Pa×s	373.76	Calculated Property
η	0.0021027	Pa×s	395.10	Calculated Property
η	0.0012731	Pa×s	416.44	Calculated Property
η	0.0008095	Pa×s	437.79	Calculated Property
η	0.0005368	Pa×s	459.13	Calculated Property
η	0.0003692	Pa×s	480.47	Calculated Property
η	0.0002622	Pa×s	501.81	Calculated Property
η	0.0001914	Pa×s	523.15	Calculated Property
η	0.0001433	Pa×s	544.49	Calculated Property
η	0.0001096	Pa×s	565.84	Calculated Property

Similar Compounds

Find more compounds similar to Valeric acid, 3-hydroxy-2,2,4-trimethyl-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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