Chemical Properties of Butanoic acid, 2-methyl-, 2-methylpropyl ester (CAS 2445-67-2)

InChI

InChI=1S/C9H18O2/c1-5-8(4)9(10)11-6-7(2)3/h7-8H,5-6H2,1-4H3

InChI Key

NWZQCEQAPBRMFX-UHFFFAOYSA-N

Formula

C9H18O2

SMILES

CCC(C)C(=O)OCC(C)C

Molecular Weight¹

158.24

CAS

2445-67-2

Other Names

• Butyric acid, 2-methyl-, isobutyl ester
• Isobutyl 2-methylbutanoate
• Isobutyl 2-methylbutyrate
• 2-Methyl-1-propyl 2-methylbutyrate
• 2-Methylbutanoic acid 2-methyl propyl ester
• 2-Methylpropyl 2-methylbutanoate
• Isobutyl 2-methyIbutyrate

• 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.
• 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
ΔfG°	-213.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-484.45	kJ/mol	Joback Calculated Property
ΔfusH°	14.81	kJ/mol	Joback Calculated Property
ΔvapH°	44.01	kJ/mol	Joback Calculated Property
log10WS	-1.97		Crippen Calculated Property
logPoct/wat	2.232		Crippen Calculated Property
McVol	145.110	ml/mol	McGowan Calculated Property
Pc	2450.74	kPa	Joback Calculated Property
Inp	[985.00; 1015.00]
Inp	985.00		NIST
Inp	1004.00		NIST
Inp	991.00		NIST
Inp	995.00		NIST
Inp	1003.80		NIST
Inp	1015.00		NIST
Inp	994.00		NIST
Inp	1002.00		NIST
Inp	986.00		NIST
Inp	988.00		NIST
Inp	1015.00		NIST
Inp	1009.20		NIST
Inp	986.00		NIST
Inp	1002.00		NIST
Inp	991.00		NIST
Inp	1003.80		NIST
Inp	1002.00		NIST
Inp	986.00		NIST
Inp	985.00		NIST
Inp	1004.00		NIST
I	[1171.00; 1185.00]
I	1177.00		NIST
I	1183.00		NIST
I	1180.00		NIST
I	1179.00		NIST
I	1178.00		NIST
I	1185.00		NIST
I	Outlier 1171.00		NIST
I	Outlier 1171.00		NIST
I	1185.00		NIST
I	1185.00		NIST
I	1180.00		NIST
I	1179.00		NIST
I	1183.00		NIST
I	1185.00		NIST
I	1178.00		NIST
Tboil	480.73	K	Joback Calculated Property
Tc	661.81	K	Joback Calculated Property
Tfus	233.35	K	Joback Calculated Property
Vc	0.551	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[323.22; 399.06]	J/mol×K	[480.73; 661.81]
Cp,gas	323.22	J/mol×K	480.73	Joback Calculated Property
Cp,gas	337.19	J/mol×K	510.91	Joback Calculated Property
Cp,gas	350.61	J/mol×K	541.09	Joback Calculated Property
Cp,gas	363.51	J/mol×K	571.27	Joback Calculated Property
Cp,gas	375.88	J/mol×K	601.45	Joback Calculated Property
Cp,gas	387.73	J/mol×K	631.63	Joback Calculated Property
Cp,gas	399.06	J/mol×K	661.81	Joback Calculated Property
η	[0.0002156; 0.0073761]	Pa×s	[233.35; 480.73]
η	0.0073761	Pa×s	233.35	Joback Calculated Property
η	0.0026314	Pa×s	274.58	Joback Calculated Property
η	0.0012286	Pa×s	315.81	Joback Calculated Property
η	0.0006840	Pa×s	357.04	Joback Calculated Property
η	0.0004299	Pa×s	398.27	Joback Calculated Property
η	0.0002948	Pa×s	439.50	Joback Calculated Property
η	0.0002156	Pa×s	480.73	Joback Calculated Property

Similar Compounds

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

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.