Chemical Properties of 2-Propanone, 1-methoxy- (CAS 5878-19-3)

InChI

InChI=1S/C4H8O2/c1-4(5)3-6-2/h3H2,1-2H3

InChI Key

CUZLJOLBIRPEFB-UHFFFAOYSA-N

Formula

C4H8O2

SMILES

COCC(C)=O

Molecular Weight¹

88.11

CAS

5878-19-3

Other Names

• 1-Methoxyacetone
• 1-Methoxypropan-2-one
• 1-methoxy-2-propanone
• CH3COCH2OCH3
• Methoxy-2-propanone
• Methoxymethyl methyl ketone
• acetone, methoxy-
• methoxyacetone
• propanone, methoxy-

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• 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 : 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	0.3677		Relay (1.0) Calculated Property
PAff	847.00 ± 2.00	kJ/mol	NIST
ΔfG°	-251.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-340.58	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.90	kJ/mol	Joback Calculated Property
ΔvapH°	35.26	kJ/mol	Relay (1.0) Calculated Property
IE	9.66	eV	NIST
log10WS	0.72		Relay (1.0) Calculated Property
logPoct/wat	0.222		Crippen Calculated Property
McVol	74.660	ml/mol	McGowan Calculated Property
Pc	4130.29	kPa	Joback Calculated Property
I	[1100.00; 1137.00]
I	1104.00		NIST
I	1104.00		NIST
I	1137.00		NIST
I	1100.00		NIST
I	1137.00		NIST
Tboil	391.20	K	NIST
Tc	584.00	K	DIPPR Project 851 - Thirty Years of Vapor-Liquid Critical Point Measurements and Experimental Technique Development
Tfus	224.14	K	Relay (1.0) Calculated Property
Vc	0.264	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[129.57; 168.41]	J/mol×K	[367.21; 546.48]
Cp,gas	129.57	J/mol×K	367.21	Joback Calculated Property
Cp,gas	136.49	J/mol×K	397.09	Joback Calculated Property
Cp,gas	143.24	J/mol×K	426.97	Joback Calculated Property
Cp,gas	149.81	J/mol×K	456.85	Joback Calculated Property
Cp,gas	156.20	J/mol×K	486.73	Joback Calculated Property
Cp,gas	162.40	J/mol×K	516.61	Joback Calculated Property
Cp,gas	168.41	J/mol×K	546.48	Joback Calculated Property
η	[0.0002686; 0.0024835]	Pa×s	[207.00; 367.21]
η	0.0024835	Pa×s	207.00	Joback Calculated Property
η	0.0013870	Pa×s	233.70	Joback Calculated Property
η	0.0008729	Pa×s	260.40	Joback Calculated Property
η	0.0005988	Pa×s	287.11	Joback Calculated Property
η	0.0004380	Pa×s	313.81	Joback Calculated Property
η	0.0003364	Pa×s	340.51	Joback Calculated Property
η	0.0002686	Pa×s	367.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Propanone, 1-methoxy-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• DIPPR Project 851 - Thirty Years of Vapor-Liquid Critical Point Measurements and Experimental Technique Development
• Joback Method
• McGowan Method
• NIST Webbook

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