Chemical Properties of Butanoic acid, 3-hydroxy- (CAS 300-85-6)

InChI

InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)

InChI Key

WHBMMWSBFZVSSR-UHFFFAOYSA-N

Formula

C4H8O3

SMILES

CC(O)CC(=O)O

Molecular Weight¹

104.10

CAS

300-85-6

Other Names

• Butyric acid, 3-hydroxy-
• «beta»-Hydroxy-n-butyric acid
• «beta»-Hydroxybutyric acid
• 3-Hydroxybutanoic acid
• 3-Hydroxybutyric acid
• 3 HBA
• (.+/-.)-3-Hydroxybutyric acid
• DL-«beta»-Hydroxybutyric acid
• NSC 3806

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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_np : Non-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
ΔcH°solid	-1787.80	kJ/mol	NIST
ΔfH°gas	-675.34	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.82	kJ/mol	Joback Calculated Property
ΔvapH°	76.30	kJ/mol	Relay (1.0) Calculated Property
IE	10.54	eV	Relay (1.0) Calculated Property
log10WS	0.98		Relay (1.0) Calculated Property
logPoct/wat	-0.158		Crippen Calculated Property
McVol	80.530	ml/mol	McGowan Calculated Property
Pc	5008.59	kPa	Joback Calculated Property
Inp	[976.60; 976.60]
Inp	976.60		NIST
Inp	976.60		NIST
Tboil	472.16	K	Relay (1.0) Calculated Property
Tc	688.73	K	Relay (1.0) Calculated Property
Tfus	324.57	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	[185.30; 220.39]	J/mol×K	[528.37; 715.50]
Cp,gas	185.30	J/mol×K	528.37	Joback Calculated Property
Cp,gas	191.96	J/mol×K	559.56	Joback Calculated Property
Cp,gas	198.28	J/mol×K	590.75	Joback Calculated Property
Cp,gas	204.27	J/mol×K	621.94	Joback Calculated Property
Cp,gas	209.94	J/mol×K	653.12	Joback Calculated Property
Cp,gas	215.31	J/mol×K	684.31	Joback Calculated Property
Cp,gas	220.39	J/mol×K	715.50	Joback Calculated Property
η	[0.0001447; 0.0040614]	Pa×s	[341.26; 528.37]
η	0.0040614	Pa×s	341.26	Joback Calculated Property
η	0.0018461	Pa×s	372.44	Joback Calculated Property
η	0.0009479	Pa×s	403.63	Joback Calculated Property
η	0.0005355	Pa×s	434.81	Joback Calculated Property
η	0.0003266	Pa×s	466.00	Joback Calculated Property
η	0.0002119	Pa×s	497.18	Joback Calculated Property
η	0.0001447	Pa×s	528.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, 3-hydroxy-.

Sources

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

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