Chemical Properties of Nonanoic acid, pentyl ester (CAS 61531-45-1)

InChI

InChI=1S/C14H28O2/c1-3-5-7-8-9-10-12-14(15)16-13-11-6-4-2/h3-13H2,1-2H3

InChI Key

DZOQJRHASSOUOU-UHFFFAOYSA-N

Formula

C14H28O2

SMILES

CCCCCCCCC(=O)OCCCCC

Molecular Weight¹

228.37

CAS

61531-45-1

Other Names

• Amyl nonanoate
• pentyl nonan-1-oate

• 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	0.7654		Relay (1.0) Calculated Property
ΔfH°gas	-650.07	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.38	kJ/mol	Joback Calculated Property
ΔvapH°	72.71	kJ/mol	Relay (1.0) Calculated Property
IE	9.50	eV	Relay (1.0) Calculated Property
log10WS	-4.71		Relay (1.0) Calculated Property
logPoct/wat	4.470		Crippen Calculated Property
McVol	215.560	ml/mol	McGowan Calculated Property
Pc	1529.46	kPa	Joback Calculated Property
Inp	[1574.00; 1574.00]
Inp	1574.00		NIST
Inp	1574.00		NIST
Tboil	537.12	K	Relay (1.0) Calculated Property
Tc	720.39	K	Relay (1.0) Calculated Property
Tfus	246.20 ± 0.70	K	NIST
Vc	0.844	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	[559.04; 651.43]	J/mol×K	[578.14; 743.60]
Cp,gas	559.04	J/mol×K	578.14	Joback Calculated Property
Cp,gas	576.17	J/mol×K	605.72	Joback Calculated Property
Cp,gas	592.58	J/mol×K	633.29	Joback Calculated Property
Cp,gas	608.31	J/mol×K	660.87	Joback Calculated Property
Cp,gas	623.35	J/mol×K	688.45	Joback Calculated Property
Cp,gas	637.72	J/mol×K	716.03	Joback Calculated Property
Cp,gas	651.43	J/mol×K	743.60	Joback Calculated Property
η	[0.0001401; 0.0045126]	Pa×s	[289.87; 578.14]
η	0.0045126	Pa×s	289.87	Joback Calculated Property
η	0.0016767	Pa×s	337.91	Joback Calculated Property
η	0.0007972	Pa×s	385.96	Joback Calculated Property
η	0.0004468	Pa×s	434.00	Joback Calculated Property
η	0.0002811	Pa×s	482.05	Joback Calculated Property
η	0.0001923	Pa×s	530.09	Joback Calculated Property
η	0.0001401	Pa×s	578.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to Nonanoic acid, pentyl ester.

Sources

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

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