Chemical Properties of Butanoic acid, nonyl ester (CAS 2639-64-7)

InChI

InChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-12-15-13(14)11-4-2/h3-12H2,1-2H3

InChI Key

RVNCBAPCNVAWOY-UHFFFAOYSA-N

Formula

C13H26O2

SMILES

CCCCCCCCCOC(=O)CCC

Molecular Weight¹

214.34

CAS

2639-64-7

Other Names

• Nonyl butyrate

• 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.
• 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
ω	0.7287		Relay (1.0) Calculated Property
ΔfH°gas	-628.91	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.79	kJ/mol	Joback Calculated Property
ΔvapH°	70.52	kJ/mol	Relay (1.0) Calculated Property
IE	9.50	eV	Relay (1.0) Calculated Property
log10WS	-4.42		Relay (1.0) Calculated Property
logPoct/wat	4.080		Crippen Calculated Property
McVol	201.470	ml/mol	McGowan Calculated Property
Pc	1651.11	kPa	Joback Calculated Property
Inp	[1461.00; 1489.00]
Inp	Outlier 1489.00		NIST
Inp	1466.00		NIST
Inp	1464.00		NIST
Inp	1461.00		NIST
Inp	1463.00		NIST
Inp	1471.00		NIST
Inp	1470.00		NIST
Inp	1470.00		NIST
I	[1724.00; 1728.00]
I	1728.00		NIST
I	1724.00		NIST
Tboil	535.00 ± 6.00	K	NIST
Tc	704.68	K	Relay (1.0) Calculated Property
Tfus	235.35	K	Relay (1.0) Calculated Property
Vc	0.789	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	[507.19; 596.69]	J/mol×K	[555.26; 721.46]
Cp,gas	507.19	J/mol×K	555.26	Joback Calculated Property
Cp,gas	523.75	J/mol×K	582.96	Joback Calculated Property
Cp,gas	539.63	J/mol×K	610.66	Joback Calculated Property
Cp,gas	554.86	J/mol×K	638.36	Joback Calculated Property
Cp,gas	569.44	J/mol×K	666.06	Joback Calculated Property
Cp,gas	583.38	J/mol×K	693.76	Joback Calculated Property
Cp,gas	596.69	J/mol×K	721.46	Joback Calculated Property
η	[0.0001564; 0.0048851]	Pa×s	[278.60; 555.26]
η	0.0048851	Pa×s	278.60	Joback Calculated Property
η	0.0018320	Pa×s	324.71	Joback Calculated Property
η	0.0008768	Pa×s	370.82	Joback Calculated Property
η	0.0004939	Pa×s	416.93	Joback Calculated Property
η	0.0003119	Pa×s	463.04	Joback Calculated Property
η	0.0002141	Pa×s	509.15	Joback Calculated Property
η	0.0001564	Pa×s	555.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, nonyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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