Chemical Properties of Butanoic acid, 2-ethyl-2-methyl-, methyl ester (CAS 5296-70-8)

InChI

InChI=1S/C8H16O2/c1-5-8(3,6-2)7(9)10-4/h5-6H2,1-4H3

InChI Key

RUFXPLNQCKJCCF-UHFFFAOYSA-N

Formula

C8H16O2

SMILES

CCC(C)(CC)C(=O)OC

Molecular Weight¹

144.21

CAS

5296-70-8

Other Names

• Butyric acid, 2-ethyl-2-methyl-, methyl ester
• Methyl «alpha»-ethyl-«alpha»-methylbutyrate
• Methyl «alpha»-methyl-«alpha»-ethylbutyrate

• 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).
• 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
ΔfG°	-214.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-462.00	kJ/mol	Joback Calculated Property
ΔfusH°	11.85	kJ/mol	Joback Calculated Property
ΔvapH°	41.26	kJ/mol	Joback Calculated Property
log10WS	-1.79		Crippen Calculated Property
logPoct/wat	1.986		Crippen Calculated Property
McVol	131.020	ml/mol	McGowan Calculated Property
Pc	2709.85	kPa	Joback Calculated Property
Inp	[869.00; 869.00]
Inp	869.00		NIST
Inp	869.00		NIST
Tboil	455.50	K	Joback Calculated Property
Tc	641.54	K	Joback Calculated Property
Tfus	254.50	K	Joback Calculated Property
Vc	0.496	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[282.32; 353.92]	J/mol×K	[455.50; 641.54]
Cp,gas	282.32	J/mol×K	455.50	Joback Calculated Property
Cp,gas	295.73	J/mol×K	486.51	Joback Calculated Property
Cp,gas	308.53	J/mol×K	517.51	Joback Calculated Property
Cp,gas	320.73	J/mol×K	548.52	Joback Calculated Property
Cp,gas	332.35	J/mol×K	579.53	Joback Calculated Property
Cp,gas	343.41	J/mol×K	610.54	Joback Calculated Property
Cp,gas	353.92	J/mol×K	641.54	Joback Calculated Property
η	[0.0002582; 0.0046923]	Pa×s	[254.50; 455.50]
η	0.0046923	Pa×s	254.50	Joback Calculated Property
η	0.0021847	Pa×s	288.00	Joback Calculated Property
η	0.0011929	Pa×s	321.50	Joback Calculated Property
η	0.0007301	Pa×s	355.00	Joback Calculated Property
η	0.0004864	Pa×s	388.50	Joback Calculated Property
η	0.0003456	Pa×s	422.00	Joback Calculated Property
η	0.0002582	Pa×s	455.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, 2-ethyl-2-methyl-, methyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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