Chemical Properties of 2-Butanone, 1-(acetyloxy)- (CAS 1575-57-1)

InChI

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

InChI Key

LHGWJCBYBIICPP-UHFFFAOYSA-N

Formula

C6H10O3

SMILES

CCC(=O)COC(C)=O

Molecular Weight¹

130.14

CAS

1575-57-1

Other Names

• 2-Butanone, 1-hydroxy-, acetate
• 1-Acetoxy-2-butanone
• 1-Hydroxy-2-butanone acetate
• 2-Oxobutyl acetate
• 1-Acetoxy-butan-2-one
• 1-(Acetyloxy)-2-butanone

• 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).
• 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.
• I : 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
ΔfG°	-363.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-524.55	kJ/mol	Joback Calculated Property
ΔfusH°	15.68	kJ/mol	Joback Calculated Property
ΔvapH°	44.85	kJ/mol	Joback Calculated Property
log10WS	-0.48		Crippen Calculated Property
logPoct/wat	0.529		Crippen Calculated Property
McVol	104.410	ml/mol	McGowan Calculated Property
Pc	3522.09	kPa	Joback Calculated Property
Inp	[964.00; 985.00]
Inp	964.00		NIST
Inp	985.00		NIST
Inp	969.00		NIST
Inp	985.00		NIST
Inp	969.00		NIST
Inp	964.00		NIST
I	[1521.00; 1556.00]
I	1526.00		NIST
I	1553.00		NIST
I	1553.00		NIST
I	1536.00		NIST
I	1556.00		NIST
I	1554.00		NIST
I	1554.00		NIST
I	1526.00		NIST
I	1521.00		NIST
I	1536.00		NIST
I	1554.00		NIST
I	1526.00		NIST
I	1521.00		NIST
I	1553.00		NIST
I	1554.00		NIST
Tboil	466.84	K	Joback Calculated Property
Tc	655.65	K	Joback Calculated Property
Tfus	279.47	K	Joback Calculated Property
Vc	0.402	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[215.00; 265.88]	J/mol×K	[466.84; 655.65]
Cp,gas	215.00	J/mol×K	466.84	Joback Calculated Property
Cp,gas	224.34	J/mol×K	498.31	Joback Calculated Property
Cp,gas	233.35	J/mol×K	529.78	Joback Calculated Property
Cp,gas	242.00	J/mol×K	561.25	Joback Calculated Property
Cp,gas	250.31	J/mol×K	592.71	Joback Calculated Property
Cp,gas	258.27	J/mol×K	624.18	Joback Calculated Property
Cp,gas	265.88	J/mol×K	655.65	Joback Calculated Property
η	[0.0003147; 0.0026736]	Pa×s	[279.47; 466.84]
η	0.0026736	Pa×s	279.47	Joback Calculated Property
η	0.0015646	Pa×s	310.70	Joback Calculated Property
η	0.0010097	Pa×s	341.93	Joback Calculated Property
η	0.0007012	Pa×s	373.16	Joback Calculated Property
η	0.0005151	Pa×s	404.38	Joback Calculated Property
η	0.0003956	Pa×s	435.61	Joback Calculated Property
η	0.0003147	Pa×s	466.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Butanone, 1-(acetyloxy)-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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