Chemical Properties of Nonanoic acid, propyl ester (CAS 6513-03-7)

InChI

InChI=1S/C12H24O2/c1-3-5-6-7-8-9-10-12(13)14-11-4-2/h3-11H2,1-2H3

InChI Key

HCMSDHYNNJTLRW-UHFFFAOYSA-N

Formula

C12H24O2

SMILES

CCCCCCCCC(=O)OCCC

Molecular Weight¹

200.32

CAS

6513-03-7

Other Names

• Propyl nonanoate
• n-Propyl nonanoate
• propyl 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.
• 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	0.6909		Relay (1.0) Calculated Property
ΔfH°gas	-611.89	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.21	kJ/mol	Joback Calculated Property
ΔvapH°	64.34	kJ/mol	Relay (1.0) Calculated Property
IE	9.53	eV	Relay (1.0) Calculated Property
log10WS	-4.08		Relay (1.0) Calculated Property
logPoct/wat	3.690		Crippen Calculated Property
McVol	187.380	ml/mol	McGowan Calculated Property
Pc	1787.88	kPa	Joback Calculated Property
Inp	[1372.00; 1377.00]
Inp	1373.00		NIST
Inp	1372.00		NIST
Inp	1377.00		NIST
I	[1598.00; 1631.00]
I	1598.00		NIST
I	1598.00		NIST
I	1631.00		NIST
Tboil	508.33	K	Relay (1.0) Calculated Property
Tc	688.84	K	Relay (1.0) Calculated Property
Tfus	237.20 ± 0.70	K	NIST
Vc	0.733	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	[456.95; 543.20]	J/mol×K	[532.38; 699.52]
Cp,gas	456.95	J/mol×K	532.38	Joback Calculated Property
Cp,gas	472.88	J/mol×K	560.24	Joback Calculated Property
Cp,gas	488.18	J/mol×K	588.09	Joback Calculated Property
Cp,gas	502.84	J/mol×K	615.95	Joback Calculated Property
Cp,gas	516.90	J/mol×K	643.81	Joback Calculated Property
Cp,gas	530.35	J/mol×K	671.66	Joback Calculated Property
Cp,gas	543.20	J/mol×K	699.52	Joback Calculated Property
η	[0.0001735; 0.0052407]	Pa×s	[267.33; 532.38]
η	0.0052407	Pa×s	267.33	Joback Calculated Property
η	0.0019850	Pa×s	311.50	Joback Calculated Property
η	0.0009569	Pa×s	355.68	Joback Calculated Property
η	0.0005420	Pa×s	399.85	Joback Calculated Property
η	0.0003438	Pa×s	444.03	Joback Calculated Property
η	0.0002368	Pa×s	488.20	Joback Calculated Property
η	0.0001735	Pa×s	532.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to Nonanoic acid, propyl ester.

Sources

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

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