Chemical Properties of Nonanoic acid, 3-methylbutyl ester (CAS 7779-70-6)

InChI

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

InChI Key

SHGMLOSSRPFLKG-UHFFFAOYSA-N

Formula

C14H28O2

SMILES

CCCCCCCCC(=O)OCCC(C)C

Molecular Weight¹

228.37

CAS

7779-70-6

Other Names

• Isoamyl nonoate
• Nonanoic acid, isopentyl ester
• isoamyl nonanoate
• isopentyl nonanoate

• 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).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-169.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-582.37	kJ/mol	Joback Calculated Property
ΔfusH°	31.28	kJ/mol	Joback Calculated Property
ΔvapH°	55.53	kJ/mol	Joback Calculated Property
log10WS	-4.30		Crippen 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	[1527.00; 1559.00]
Inp	1559.00		NIST
Inp	1527.00		NIST
Inp	1533.00		NIST
I	[1748.00; 1752.00]
I	1748.00		NIST
I	1748.00		NIST
I	1752.00		NIST
I	1748.00		NIST
Tboil	595.57	K	Joback Calculated Property
Tc	766.26	K	Joback Calculated Property
Tfus	304.70	K	Joback Calculated Property
Ttriple	233.20	K	Influen...
Vc	0.838	m3/kmol	Joback Calculated Property

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 Nonanoic acid, 3-methylbutyl ester.

Mixtures

• Dodecanoic acid, ethyl ester + Nonanoic acid, 3-methylbutyl ester
• Tetradecanoic acid, ethyl ester + Nonanoic acid, 3-methylbutyl ester
• Hexadecanoic acid, ethyl ester + Nonanoic acid, 3-methylbutyl ester
• Octadecanoic acid, ethyl ester + Nonanoic acid, 3-methylbutyl ester
• Ethyl Oleate + Nonanoic acid, 3-methylbutyl ester

Sources

• Crippen Method
• Crippen Method
• Influence of Additives (Isoamyl Laurate or Isoamyl Nonanoate) in the Solid-Liquid Equilibrium of Fatty Acid Ethyl Esters
• Joback Method
• McGowan Method
• NIST Webbook

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