Chemical Properties of Hexanoic acid, 2-methylbutyl ester (CAS 2601-13-0)

InChI

InChI=1S/C11H22O2/c1-4-6-7-8-11(12)13-9-10(3)5-2/h10H,4-9H2,1-3H3

InChI Key

ZWMQVDONBUJJLL-UHFFFAOYSA-N

Formula

C11H22O2

SMILES

CCCCCC(=O)OCC(C)CC

Molecular Weight¹

186.29

CAS

2601-13-0

Other Names

• 2-Methylbutyl caproate
• 2-methylbutyl hexanoate
• active amyl hexanoate

• 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°	-194.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-520.45	kJ/mol	Joback Calculated Property
ΔfusH°	23.51	kJ/mol	Joback Calculated Property
ΔvapH°	48.85	kJ/mol	Joback Calculated Property
log10WS	-3.05		Crippen Calculated Property
logPoct/wat	3.156		Crippen Calculated Property
McVol	173.290	ml/mol	McGowan Calculated Property
Pc	2029.06	kPa	Joback Calculated Property
Inp	[1196.00; 1253.00]
Inp	1236.00		NIST
Inp	1240.00		NIST
Inp	1236.00		NIST
Inp	1236.00		NIST
Inp	Outlier 1196.00		NIST
Inp	1247.00		NIST
Inp	1247.00		NIST
Inp	1247.00		NIST
Inp	1253.00		NIST
Inp	1231.00		NIST
Inp	1246.00		NIST
Inp	1231.00		NIST
Inp	Outlier 1196.00		NIST
I	[1418.00; 1458.00]
I	1458.00		NIST
I	1451.00		NIST
I	1445.00		NIST
I	Outlier 1418.00		NIST
I	1445.00		NIST
I	1458.00		NIST
Tboil	526.93	K	Joback Calculated Property
Tc	701.19	K	Joback Calculated Property
Tfus	270.89	K	Joback Calculated Property
Vc	0.669	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[415.48; 498.48]	J/mol×K	[526.93; 701.19]
Cp,gas	415.48	J/mol×K	526.93	Joback Calculated Property
Cp,gas	430.78	J/mol×K	555.97	Joback Calculated Property
Cp,gas	445.49	J/mol×K	585.02	Joback Calculated Property
Cp,gas	459.60	J/mol×K	614.06	Joback Calculated Property
Cp,gas	473.13	J/mol×K	643.11	Joback Calculated Property
Cp,gas	486.09	J/mol×K	672.15	Joback Calculated Property
Cp,gas	498.48	J/mol×K	701.19	Joback Calculated Property
η	[0.0001937; 0.0044896]	Pa×s	[270.89; 526.93]
η	0.0044896	Pa×s	270.89	Joback Calculated Property
η	0.0018616	Pa×s	313.56	Joback Calculated Property
η	0.0009531	Pa×s	356.24	Joback Calculated Property
η	0.0005632	Pa×s	398.91	Joback Calculated Property
η	0.0003684	Pa×s	441.58	Joback Calculated Property
η	0.0002597	Pa×s	484.26	Joback Calculated Property
η	0.0001937	Pa×s	526.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to Hexanoic acid, 2-methylbutyl 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.