Chemical Properties of Butanoic acid, 4-hydroxy- (CAS 591-81-1)

InChI

InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)

InChI Key

SJZRECIVHVDYJC-UHFFFAOYSA-N

Formula

C4H8O3

SMILES

O=C(O)CCCO

Molecular Weight¹

104.10

CAS

591-81-1

Other Names

• GHB
• «gamma»-Hydroxybutyric acid decomposition product
• 4-Hydroxybutyric acid

• 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_fH°_liquid : Liquid phase 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7651		Relay (1.0) Calculated Property
ΔfG°	-497.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-626.74	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	-710.00 ± 3.00	kJ/mol	NIST
ΔfusH°	20.35	kJ/mol	Joback Calculated Property
ΔvapH°	89.26	kJ/mol	Relay (1.0) Calculated Property
IE	10.38	eV	Relay (1.0) Calculated Property
log10WS	0.87		Relay (1.0) Calculated Property
logPoct/wat	-0.157		Crippen Calculated Property
McVol	80.530	ml/mol	McGowan Calculated Property
Pc	4952.36	kPa	Joback Calculated Property
Inp	[933.00; 933.00]
Inp	933.00		NIST
Inp	933.00		NIST
Tboil	523.03	K	Relay (1.0) Calculated Property
Tc	754.91	K	Relay (1.0) Calculated Property
Tfus	347.30	K	Relay (1.0) Calculated Property
Vc	0.291	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[184.92; 219.14]	J/mol×K	[528.81; 712.21]
Cp,gas	184.92	J/mol×K	528.81	Joback Calculated Property
Cp,gas	191.38	J/mol×K	559.38	Joback Calculated Property
Cp,gas	197.53	J/mol×K	589.94	Joback Calculated Property
Cp,gas	203.36	J/mol×K	620.51	Joback Calculated Property
Cp,gas	208.90	J/mol×K	651.07	Joback Calculated Property
Cp,gas	214.16	J/mol×K	681.64	Joback Calculated Property
Cp,gas	219.14	J/mol×K	712.21	Joback Calculated Property
η	[0.0001533; 0.0028092]	Pa×s	[356.26; 528.81]
η	0.0028092	Pa×s	356.26	Joback Calculated Property
η	0.0014435	Pa×s	385.02	Joback Calculated Property
η	0.0008137	Pa×s	413.78	Joback Calculated Property
η	0.0004942	Pa×s	442.53	Joback Calculated Property
η	0.0003189	Pa×s	471.29	Joback Calculated Property
η	0.0002165	Pa×s	500.05	Joback Calculated Property
η	0.0001533	Pa×s	528.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, 4-hydroxy-.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.