Chemical Properties of Butanoic acid, 3,3-dimethyl-2-(1-methylethyl), ethyl ester

InChI

InChI=1S/C11H22O2/c1-7-13-10(12)9(8(2)3)11(4,5)6/h8-9H,7H2,1-6H3

InChI Key

RSBMHLDDEJRKMZ-UHFFFAOYSA-N

Formula

C11H22O2

SMILES

CCOC(=O)C(C(C)C)C(C)(C)C

Molecular Weight¹

186.29

Other Names

• Butanoic acid, 2-isopropyl-3,3-dimethyl, ethyl ester

• 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°	-194.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-534.48	kJ/mol	Joback Calculated Property
ΔfusH°	12.57	kJ/mol	Joback Calculated Property
ΔvapH°	47.16	kJ/mol	Joback Calculated Property
log10WS	-2.56		Crippen Calculated Property
logPoct/wat	2.868		Crippen Calculated Property
McVol	173.290	ml/mol	McGowan Calculated Property
Pc	2079.33	kPa	Joback Calculated Property
Inp	[1102.00; 1102.00]
Inp	1102.00		NIST
Inp	1102.00		NIST
Tboil	523.26	K	Joback Calculated Property
Tc	711.19	K	Joback Calculated Property
Tfus	258.31	K	Joback Calculated Property
Vc	0.652	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[418.60; 507.33]	J/mol×K	[523.26; 711.19]
Cp,gas	418.60	J/mol×K	523.26	Joback Calculated Property
Cp,gas	435.34	J/mol×K	554.58	Joback Calculated Property
Cp,gas	451.26	J/mol×K	585.90	Joback Calculated Property
Cp,gas	466.40	J/mol×K	617.23	Joback Calculated Property
Cp,gas	480.77	J/mol×K	648.55	Joback Calculated Property
Cp,gas	494.41	J/mol×K	679.87	Joback Calculated Property
Cp,gas	507.33	J/mol×K	711.19	Joback Calculated Property
η	[0.0001731; 0.0092666]	Pa×s	[258.31; 523.26]
η	0.0092666	Pa×s	258.31	Joback Calculated Property
η	0.0029409	Pa×s	302.47	Joback Calculated Property
η	0.0012504	Pa×s	346.63	Joback Calculated Property
η	0.0006450	Pa×s	390.78	Joback Calculated Property
η	0.0003806	Pa×s	434.94	Joback Calculated Property
η	0.0002475	Pa×s	479.10	Joback Calculated Property
η	0.0001731	Pa×s	523.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, 3,3-dimethyl-2-(1-methylethyl), ethyl ester.

Sources

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

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