Chemical Properties of Butyl pyruvate (CAS 20279-44-1)

InChI

InChI=1S/C7H12O3/c1-3-4-5-10-7(9)6(2)8/h3-5H2,1-2H3

InChI Key

ZAZUOXBHFXAWMD-UHFFFAOYSA-N

Formula

C7H12O3

SMILES

CCCCOC(=O)C(C)=O

Molecular Weight¹

144.17

CAS

20279-44-1

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_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	0.5441		Relay (1.0) Calculated Property
ΔfH°gas	-570.44	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.85	kJ/mol	Joback Calculated Property
ΔvapH°	55.24	kJ/mol	Relay (1.0) Calculated Property
IE	9.71	eV	Relay (1.0) Calculated Property
log10WS	-1.24		Relay (1.0) Calculated Property
logPoct/wat	0.919		Crippen Calculated Property
McVol	118.500	ml/mol	McGowan Calculated Property
Pc	3012.33	kPa	Joback Calculated Property
Inp	[968.00; 968.00]
Inp	968.00		NIST
Inp	968.00		NIST
Tboil	443.17	K	Relay (1.0) Calculated Property
Tc	637.45	K	Relay (1.0) Calculated Property
Tfus	230.98	K	Relay (1.0) Calculated Property
Vc	0.463	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[252.18; 310.42]	J/mol×K	[471.85; 655.55]
Cp,gas	252.18	J/mol×K	471.85	Joback Calculated Property
Cp,gas	262.99	J/mol×K	502.47	Joback Calculated Property
Cp,gas	273.35	J/mol×K	533.08	Joback Calculated Property
Cp,gas	283.27	J/mol×K	563.70	Joback Calculated Property
Cp,gas	292.76	J/mol×K	594.32	Joback Calculated Property
Cp,gas	301.81	J/mol×K	624.94	Joback Calculated Property
Cp,gas	310.42	J/mol×K	655.55	Joback Calculated Property
η	[0.0002803; 0.0043890]	Pa×s	[260.91; 471.85]
η	0.0043890	Pa×s	260.91	Joback Calculated Property
η	0.0021136	Pa×s	296.07	Joback Calculated Property
η	0.0011887	Pa×s	331.22	Joback Calculated Property
η	0.0007466	Pa×s	366.38	Joback Calculated Property
η	0.0005087	Pa×s	401.54	Joback Calculated Property
η	0.0003687	Pa×s	436.69	Joback Calculated Property
η	0.0002803	Pa×s	471.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butyl pyruvate.

Sources

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

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