Chemical Properties of CH3C(O)CH2CH2OH (CAS 590-90-9)

InChI

InChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3

InChI Key

LVSQXDHWDCMMRJ-UHFFFAOYSA-N

Formula

C4H8O2

SMILES

CC(=O)CCO

Molecular Weight¹

88.11

CAS

590-90-9

Other Names

• Methylolacetone
• Monomethylolacetone
• 3-Ketobutan-1-ol
• 3-Oxo-1-butanol
• 3-Oxobutanol
• 4-Butanol-2-one
• 4-Hydroxy-2-butanone
• NSC 41219
• 4-hydroxybutan-2-one

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.6057		Relay (... Calculated Property
ΔfG°	-282.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-411.94	kJ/mol	Relay (... Calculated Property
ΔfusH°	11.80	kJ/mol	Joback Calculated Property
ΔvapH°	55.08	kJ/mol	Relay (... Calculated Property
IE	9.66	eV	Relay (... Calculated Property
log10WS	1.14		Relay (... Calculated Property
logPoct/wat	-0.042		Crippen Calculated Property
McVol	74.660	ml/mol	McGowan Calculated Property
Pc	4775.98	kPa	Joback Calculated Property
Inp	[751.00; 814.00]
Inp	751.00		NIST
Inp	798.00		NIST
Inp	814.00		NIST
Inp	755.00		NIST
Inp	751.00		NIST
Inp	798.00		NIST
Tboil	446.40	K	Relay (... Calculated Property
Tc	650.20	K	Relay (... Calculated Property
Tfus	226.88	K	Relay (... Calculated Property
Vc	0.260	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[146.10; 181.81]	J/mol×K	[436.97; 610.84]
Cp,gas	146.10	J/mol×K	436.97	Joback Calculated Property
Cp,gas	152.68	J/mol×K	465.95	Joback Calculated Property
Cp,gas	159.00	J/mol×K	494.93	Joback Calculated Property
Cp,gas	165.07	J/mol×K	523.90	Joback Calculated Property
Cp,gas	170.89	J/mol×K	552.88	Joback Calculated Property
Cp,gas	176.47	J/mol×K	581.86	Joback Calculated Property
Cp,gas	181.81	J/mol×K	610.84	Joback Calculated Property
η	[0.0002812; 0.0318897]	Pa×s	[245.59; 436.97]
η	0.0318897	Pa×s	245.59	Joback Calculated Property
η	0.0092130	Pa×s	277.49	Joback Calculated Property
η	0.0034383	Pa×s	309.38	Joback Calculated Property
η	0.0015427	Pa×s	341.28	Joback Calculated Property
η	0.0007939	Pa×s	373.18	Joback Calculated Property
η	0.0004536	Pa×s	405.07	Joback Calculated Property
η	0.0002812	Pa×s	436.97	Joback Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[363.20; 382.70]	K	[1.50; 4.00]
Tboilr	363.20	K	1.50	NIST
Tboilr	382.70	K	4.00	NIST

Similar Compounds

Find more compounds similar to CH3C(O)CH2CH2OH.

Sources

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

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