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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[116.46; 255.14]	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			9.14300e+00
Coefficient B			4.68600e-01
Coefficient C			-2.96800e-04
Coefficient D			7.42000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	116.46	J/mol×K	273.00	Calculated Property
Cp,gas	141.06	J/mol×K	353.78	Calculated Property
Cp,gas	162.82	J/mol×K	434.56	Calculated Property
Cp,gas	181.96	J/mol×K	515.33	Calculated Property
Cp,gas	198.73	J/mol×K	596.11	Calculated Property
Cp,gas	213.36	J/mol×K	676.89	Calculated Property
Cp,gas	226.08	J/mol×K	757.67	Calculated Property
Cp,gas	237.13	J/mol×K	838.44	Calculated Property
Cp,gas	246.74	J/mol×K	919.22	Calculated Property
Cp,gas	255.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0028092; 0.0002207]	Pa×s	[356.26; 498.54]	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			-1.47886e+01
Coefficient B			3.17561e+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.			356.26
Temperature range, max.			498.54
η	0.0028092	Pa×s	356.26	Calculated Property
η	0.0019235	Pa×s	372.07	Calculated Property
η	0.0013584	Pa×s	387.88	Calculated Property
η	0.0009858	Pa×s	403.69	Calculated Property
η	0.0007329	Pa×s	419.50	Calculated Property
η	0.0005567	Pa×s	435.31	Calculated Property
η	0.0004311	Pa×s	451.12	Calculated Property
η	0.0003397	Pa×s	466.93	Calculated Property
η	0.0002719	Pa×s	482.74	Calculated Property
η	0.0002207	Pa×s	498.54	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

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