Chemical Properties of 3-OXOPENTANOIC ACID, METHYL ESTER

InChI

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

InChI Key

XJMIXEAZMCTAGH-UHFFFAOYSA-N

Formula

C6H10O3

SMILES

CCC(=O)CC(=O)OC

Molecular Weight¹

130.14

Other Names

• Valeric acid, 3-oxo-, methyl ester
• Methyl «beta»-ketovalerate
• Methyl 3-oxopentanoate
• Methyl propionylacetate
• Methyl 3-oxo-n-valerate
• 3-oxopentanoic acid methyl ester
• methyl 3-oxovalerate

• 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 : 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	0.4594		Relay (1.0) Calculated Property
ΔfG°	-439.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-600.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.26	kJ/mol	Joback Calculated Property
ΔvapH°	50.66	kJ/mol	Relay (1.0) Calculated Property
IE	9.44	eV	Relay (1.0) Calculated Property
log10WS	-0.42		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
I	[1522.00; 1522.00]
I	1522.00		NIST
I	1522.00		NIST
I	1522.00		NIST
Tboil	441.45	K	Relay (1.0) Calculated Property
Tc	629.75	K	Relay (1.0) Calculated Property
Tfus	259.81	K	Relay (1.0) Calculated Property
Vc	0.386	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 3-OXOPENTANOIC ACID, METHYL ESTER.

Sources

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

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