Chemical Properties of Methyl 4-methylnonanoate

InChI

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

InChI Key

GXZVGQNXKJXNBV-UHFFFAOYSA-N

Formula

C11H22O2

SMILES

CCCCCC(C)CCC(=O)OC

Molecular Weight¹

186.29

Other Names

• 4-Methylnonanoic acid, methyl ester

• 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.
• 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	0.5878		Relay (1.0) Calculated Property
ΔfH°gas	-589.10	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.51	kJ/mol	Joback Calculated Property
ΔvapH°	66.12	kJ/mol	Relay (1.0) Calculated Property
IE	9.50	eV	Relay (1.0) Calculated Property
log10WS	-3.74		Relay (1.0) 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	[1283.00; 1283.00]
Inp	1283.00		NIST
Inp	1283.00		NIST
Tboil	479.47	K	Relay (1.0) Calculated Property
Tc	665.64	K	Relay (1.0) Calculated Property
Tfus	204.85	K	Relay (1.0) Calculated Property
Vc	0.639	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	[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 Methyl 4-methylnonanoate.

Sources

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

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