Chemical Properties of Nonyl 2-methylbutanoate

InChI

InChI=1S/C14H28O2/c1-4-6-7-8-9-10-11-12-16-14(15)13(3)5-2/h13H,4-12H2,1-3H3

InChI Key

GPHARSQCLGLBRV-UHFFFAOYSA-N

Formula

C14H28O2

SMILES

CCCCCCCCCOC(=O)C(C)CC

Molecular Weight¹

228.38

Other Names

• 1-Nonyl 2-methylbutanoate

• 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	0.7212		Relay (1.0) Calculated Property
ΔfH°gas	-663.07	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.28	kJ/mol	Joback Calculated Property
ΔvapH°	67.46	kJ/mol	Relay (1.0) Calculated Property
IE	9.48	eV	Relay (1.0) Calculated Property
log10WS	-4.64		Relay (1.0) Calculated Property
logPoct/wat	4.326		Crippen Calculated Property
McVol	215.560	ml/mol	McGowan Calculated Property
Pc	1589.81	kPa	Joback Calculated Property
Inp	[1518.00; 1518.00]
Inp	1518.00		NIST
Inp	1518.00		NIST
Tboil	511.81	K	Relay (1.0) Calculated Property
Tc	706.62	K	Relay (1.0) Calculated Property
Tfus	238.75	K	Relay (1.0) Calculated Property
Vc	0.821	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	[567.35; 660.10]	J/mol×K	[595.57; 766.26]
Cp,gas	567.35	J/mol×K	595.57	Joback Calculated Property
Cp,gas	584.55	J/mol×K	624.02	Joback Calculated Property
Cp,gas	601.04	J/mol×K	652.47	Joback Calculated Property
Cp,gas	616.82	J/mol×K	680.91	Joback Calculated Property
Cp,gas	631.92	J/mol×K	709.36	Joback Calculated Property
Cp,gas	646.34	J/mol×K	737.81	Joback Calculated Property
Cp,gas	660.10	J/mol×K	766.26	Joback Calculated Property
η	[0.0001432; 0.0037349]	Pa×s	[304.70; 595.57]
η	0.0037349	Pa×s	304.70	Joback Calculated Property
η	0.0014934	Pa×s	353.18	Joback Calculated Property
η	0.0007451	Pa×s	401.66	Joback Calculated Property
η	0.0004318	Pa×s	450.13	Joback Calculated Property
η	0.0002782	Pa×s	498.61	Joback Calculated Property
η	0.0001938	Pa×s	547.09	Joback Calculated Property
η	0.0001432	Pa×s	595.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to Nonyl 2-methylbutanoate.

Sources

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

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