Chemical Properties of 2-Butanone, 4-(acetyloxy)- (CAS 10150-87-5)

InChI

InChI=1S/C6H10O3/c1-5(7)3-4-9-6(2)8/h3-4H2,1-2H3

InChI Key

NWCYECXHIYEBJE-UHFFFAOYSA-N

Formula

C6H10O3

SMILES

CC(=O)CCOC(C)=O

Molecular Weight¹

130.14

CAS

10150-87-5

Other Names

• 2-Butanone, 4-hydroxy-, acetate
• 1-Acetoxybutan-3-one
• 4-Acetoxy-2-butanone
• CH3C(O)OCH2CH2C(O)CH3
• 3-Oxobutyl acetate
• 4-(Acetyloxy)-2-butanone
• 4-Hydroxy-2-butanone acetate

• 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	0.4872		Relay (1.0) Calculated Property
ΔfG°	-439.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-599.25	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.26	kJ/mol	Joback Calculated Property
ΔvapH°	56.97	kJ/mol	Relay (1.0) Calculated Property
IE	9.54	eV	Relay (1.0) Calculated Property
log10WS	0.22		Relay (1.0) Calculated Property
logPoct/wat	0.529		Crippen Calculated Property
McVol	104.410	ml/mol	McGowan Calculated Property
Pc	3356.75	kPa	Joback Calculated Property
Inp	[985.00; 985.00]
Inp	985.00		NIST
Inp	985.00		NIST
Tboil	456.52	K	Relay (1.0) Calculated Property
Tc	634.26	K	Relay (1.0) Calculated Property
Tfus	237.51	K	Relay (1.0) Calculated Property
Vc	0.397	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[211.97; 264.03]	J/mol×K	[448.97; 634.46]
Cp,gas	211.97	J/mol×K	448.97	Joback Calculated Property
Cp,gas	221.59	J/mol×K	479.88	Joback Calculated Property
Cp,gas	230.84	J/mol×K	510.80	Joback Calculated Property
Cp,gas	239.71	J/mol×K	541.71	Joback Calculated Property
Cp,gas	248.20	J/mol×K	572.63	Joback Calculated Property
Cp,gas	256.30	J/mol×K	603.54	Joback Calculated Property
Cp,gas	264.03	J/mol×K	634.46	Joback Calculated Property
η	[0.0002978; 0.0043769]	Pa×s	[249.64; 448.97]
η	0.0043769	Pa×s	249.64	Joback Calculated Property
η	0.0021497	Pa×s	282.86	Joback Calculated Property
η	0.0012260	Pa×s	316.08	Joback Calculated Property
η	0.0007780	Pa×s	349.30	Joback Calculated Property
η	0.0005343	Pa×s	382.53	Joback Calculated Property
η	0.0003897	Pa×s	415.75	Joback Calculated Property
η	0.0002978	Pa×s	448.97	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 2-Butanone, 4-(acetyloxy)-.

Sources

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

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