Chemical Properties of Hydroxypivalic acid (CAS 4835-90-9)

InChI

InChI=1S/C5H10O3/c1-5(2,3-6)4(7)8/h6H,3H2,1-2H3,(H,7,8)

InChI Key

RDFQSFOGKVZWKF-UHFFFAOYSA-N

Formula

C5H10O3

SMILES

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

Molecular Weight¹

118.13

CAS

4835-90-9

Other Names

• 2,2-Dimethyl-3-hydroxypropionic acid
• 3-hydroxypivalic acid
• Hydroxy pivalic acid
• Propanoic acid, 3-hydroxy-2,2-dimethyl-

• 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).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[136.21; 308.20]	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			-1.62390e+01
Coefficient B			6.89440e-01
Coefficient C			-5.23000e-04
Coefficient D			1.58000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	136.21	J/mol×K	273.00	Calculated Property
Cp,gas	169.21	J/mol×K	353.78	Calculated Property
Cp,gas	197.56	J/mol×K	434.56	Calculated Property
Cp,gas	221.78	J/mol×K	515.33	Calculated Property
Cp,gas	242.37	J/mol×K	596.11	Calculated Property
Cp,gas	259.81	J/mol×K	676.89	Calculated Property
Cp,gas	274.62	J/mol×K	757.67	Calculated Property
Cp,gas	287.28	J/mol×K	838.44	Calculated Property
Cp,gas	298.31	J/mol×K	919.22	Calculated Property
Cp,gas	308.20	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014209; 0.0001803]	Pa×s	[397.15; 518.18]	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			-1.53952e+01
Coefficient B			3.51031e+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.			397.15
Temperature range, max.			518.18
η	0.0014209	Pa×s	397.15	Calculated Property
η	0.0010638	Pa×s	410.60	Calculated Property
η	0.0008112	Pa×s	424.05	Calculated Property
η	0.0006289	Pa×s	437.49	Calculated Property
η	0.0004951	Pa×s	450.94	Calculated Property
η	0.0003952	Pa×s	464.39	Calculated Property
η	0.0003194	Pa×s	477.84	Calculated Property
η	0.0002613	Pa×s	491.28	Calculated Property
η	0.0002160	Pa×s	504.73	Calculated Property
η	0.0001803	Pa×s	518.18	Calculated Property

Similar Compounds

Find more compounds similar to Hydroxypivalic acid.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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