Chemical Properties of Butanal, 3-hydroxy- (CAS 107-89-1)

InChI

InChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3

InChI Key

HSJKGGMUJITCBW-UHFFFAOYSA-N

Formula

C4H8O2

SMILES

CC(O)CC=O

Molecular Weight¹

88.11

CAS

107-89-1

Other Names

• Butyraldehyde, 3-hydroxy-
• «beta»-Hydroxybutyraldehyde
• Acetaldol
• Aldol
• 3-Butanolal
• 3-Hydroxybutyraldehyde
• Oxybutanal
• Oxybutyric aldehyde
• 3-Hydroxybutanal
• UN 2839
• beta-Hydroxybutyraldehyde
• NSC 7610

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l 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	[107.44; 235.68]	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			1.42610e+01
Coefficient B			3.98220e-01
Coefficient C			-2.20400e-04
Coefficient D			4.36000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	107.44	J/mol×K	273.00	Calculated Property
Cp,gas	129.49	J/mol×K	353.78	Calculated Property
Cp,gas	149.27	J/mol×K	434.56	Calculated Property
Cp,gas	166.91	J/mol×K	515.33	Calculated Property
Cp,gas	182.56	J/mol×K	596.11	Calculated Property
Cp,gas	196.35	J/mol×K	676.89	Calculated Property
Cp,gas	208.42	J/mol×K	757.67	Calculated Property
Cp,gas	218.91	J/mol×K	838.44	Calculated Property
Cp,gas	227.95	J/mol×K	919.22	Calculated Property
Cp,gas	235.68	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0924811; 0.0003376]	Pa×s	[222.66; 423.24]	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			-1.42245e+01
Coefficient B			2.63712e+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.			222.66
Temperature range, max.			423.24
η	0.0924811	Pa×s	222.66	Calculated Property
η	0.0314819	Pa×s	244.95	Calculated Property
η	0.0128271	Pa×s	267.23	Calculated Property
η	0.0060010	Pa×s	289.52	Calculated Property
η	0.0031296	Pa×s	311.80	Calculated Property
η	0.0017802	Pa×s	334.09	Calculated Property
η	0.0010866	Pa×s	356.38	Calculated Property
η	0.0007030	Pa×s	378.66	Calculated Property
η	0.0004773	Pa×s	400.95	Calculated Property
η	0.0003376	Pa×s	423.24	Calculated Property

Similar Compounds

Find more compounds similar to Butanal, 3-hydroxy-.

Sources

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

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