Chemical Properties of methyl 3-acetoxy-2-methylbutanoate

InChI

InChI=1S/C8H14O4/c1-5(8(10)11-4)6(2)12-7(3)9/h5-6H,1-4H3

InChI Key

UYUNIPJXXCRQBO-UHFFFAOYSA-N

Formula

C8H14O4

SMILES

COC(=O)C(C)C(C)OC(C)=O

Molecular Weight¹

174.19

Other Names

• methyl 3-acetoxy-2-methylbutyrate

• 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.
• 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	0.5040		Relay (1.0) Calculated Property
ΔfH°gas	-846.62	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.17	kJ/mol	Joback Calculated Property
ΔvapH°	64.99	kJ/mol	Relay (1.0) Calculated Property
IE	9.87	eV	Relay (1.0) Calculated Property
log10WS	-0.74		Relay (1.0) Calculated Property
logPoct/wat	0.747		Crippen Calculated Property
McVol	138.460	ml/mol	McGowan Calculated Property
Pc	2603.08	kPa	Joback Calculated Property
Inp	[1087.00; 1087.00]
Inp	1087.00		NIST
Inp	1087.00		NIST
I	[1526.00; 1554.00]
I	1526.00		NIST
I	1554.00		NIST
I	1526.00		NIST
Tboil	454.00	K	Relay (1.0) Calculated Property
Tc	635.09	K	Relay (1.0) Calculated Property
Tfus	246.24	K	Relay (1.0) Calculated Property
Vc	0.511	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	[314.31; 381.68]	J/mol×K	[498.20; 683.84]
Cp,gas	314.31	J/mol×K	498.20	Joback Calculated Property
Cp,gas	326.89	J/mol×K	529.14	Joback Calculated Property
Cp,gas	338.94	J/mol×K	560.08	Joback Calculated Property
Cp,gas	350.44	J/mol×K	591.02	Joback Calculated Property
Cp,gas	361.41	J/mol×K	621.96	Joback Calculated Property
Cp,gas	371.82	J/mol×K	652.90	Joback Calculated Property
Cp,gas	381.68	J/mol×K	683.84	Joback Calculated Property
η	[0.0001797; 0.0136217]	Pa×s	[234.58; 498.20]
η	0.0136217	Pa×s	234.58	Joback Calculated Property
η	0.0037483	Pa×s	278.52	Joback Calculated Property
η	0.0014660	Pa×s	322.45	Joback Calculated Property
η	0.0007182	Pa×s	366.39	Joback Calculated Property
η	0.0004099	Pa×s	410.33	Joback Calculated Property
η	0.0002608	Pa×s	454.26	Joback Calculated Property
η	0.0001797	Pa×s	498.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to methyl 3-acetoxy-2-methylbutanoate.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.