Chemical Properties of Acetoin octanoate #2

InChI

InChI=1S/C12H24O3/c1-4-5-6-7-8-9-12(14)15-11(3)10(2)13/h10-11,13H,4-9H2,1-3H3

InChI Key

HPHHIFUXVYBQOZ-UHFFFAOYSA-N

Formula

C12H24O3

SMILES

CCCCCCCC(=O)OC(C)C(C)O

Molecular Weight¹

216.32

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7984		Relay (1.0) Calculated Property
ΔfH°gas	-806.08	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.25	kJ/mol	Joback Calculated Property
ΔvapH°	81.62	kJ/mol	Relay (1.0) Calculated Property
IE	9.99	eV	Relay (1.0) Calculated Property
log10WS	-2.35		Relay (1.0) Calculated Property
logPoct/wat	2.659		Crippen Calculated Property
McVol	193.250	ml/mol	McGowan Calculated Property
Pc	1963.07	kPa	Joback Calculated Property
Inp	[1473.00; 1473.00]
Inp	1473.00		NIST
Inp	1473.00		NIST
Tboil	524.56	K	Relay (1.0) Calculated Property
Tc	708.48	K	Relay (1.0) Calculated Property
Tfus	292.55	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[525.13; 601.29]	J/mol×K	[623.68; 792.18]
Cp,gas	525.13	J/mol×K	623.68	Joback Calculated Property
Cp,gas	539.40	J/mol×K	651.76	Joback Calculated Property
Cp,gas	553.02	J/mol×K	679.85	Joback Calculated Property
Cp,gas	566.01	J/mol×K	707.93	Joback Calculated Property
Cp,gas	578.37	J/mol×K	736.02	Joback Calculated Property
Cp,gas	590.13	J/mol×K	764.10	Joback Calculated Property
Cp,gas	601.29	J/mol×K	792.18	Joback Calculated Property
η	[0.0000448; 0.0255815]	Pa×s	[298.15; 623.68]
η	0.0255815	Pa×s	298.15	Joback Calculated Property
η	0.0039348	Pa×s	352.41	Joback Calculated Property
η	0.0009974	Pa×s	406.66	Joback Calculated Property
η	0.0003492	Pa×s	460.92	Joback Calculated Property
η	0.0001525	Pa×s	515.17	Joback Calculated Property
η	0.0000780	Pa×s	569.43	Joback Calculated Property
η	0.0000448	Pa×s	623.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acetoin octanoate #2.

Sources

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

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