Chemical Properties of Allyl nonanoate (CAS 7493-72-3)

InChI

InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-12(13)14-11-4-2/h4H,2-3,5-11H2,1H3

InChI Key

MFLWLDDOGSNSKO-UHFFFAOYSA-N

Formula

C12H22O2

SMILES

C=CCOC(=O)CCCCCCCC

Molecular Weight¹

198.30

CAS

7493-72-3

Other Names

• Allyl pelargonate
• Nonanoic acid, 2-propenyl ester
• Nonanoic acid, allyl ester
• Allyl n-nonanoate
• allyl nonan-1-oate

• ω : Acentric Factor.
• 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).
• 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	0.6462		Relay (1.0) Calculated Property
ΔfG°	-172.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-493.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.93	kJ/mol	Joback Calculated Property
ΔvapH°	63.88	kJ/mol	Relay (1.0) Calculated Property
IE	9.57	eV	Relay (1.0) Calculated Property
log10WS	-3.94		Relay (1.0) Calculated Property
logPoct/wat	3.466		Crippen Calculated Property
McVol	183.080	ml/mol	McGowan Calculated Property
Pc	1853.11	kPa	Joback Calculated Property
Inp	[1355.00; 1376.00]
Inp	1376.00		NIST
Inp	1355.00		NIST
Inp	1365.00		NIST
Inp	1365.00		NIST
I	[1610.00; 1610.00]
I	1610.00		NIST
I	1610.00		NIST
Tboil	509.35	K	Relay (1.0) Calculated Property
Tc	693.94	K	Relay (1.0) Calculated Property
Tfus	227.39	K	Relay (1.0) Calculated Property
Vc	0.683	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[437.59; 520.75]	J/mol×K	[529.06; 699.05]
Cp,gas	437.59	J/mol×K	529.06	Joback Calculated Property
Cp,gas	453.03	J/mol×K	557.39	Joback Calculated Property
Cp,gas	467.82	J/mol×K	585.72	Joback Calculated Property
Cp,gas	481.98	J/mol×K	614.05	Joback Calculated Property
Cp,gas	495.51	J/mol×K	642.38	Joback Calculated Property
Cp,gas	508.43	J/mol×K	670.72	Joback Calculated Property
Cp,gas	520.75	J/mol×K	699.05	Joback Calculated Property
η	[0.0001779; 0.0048712]	Pa×s	[265.57; 529.06]
η	0.0048712	Pa×s	265.57	Joback Calculated Property
η	0.0018971	Pa×s	309.49	Joback Calculated Property
η	0.0009340	Pa×s	353.40	Joback Calculated Property
η	0.0005378	Pa×s	397.31	Joback Calculated Property
η	0.0003456	Pa×s	441.23	Joback Calculated Property
η	0.0002406	Pa×s	485.14	Joback Calculated Property
η	0.0001779	Pa×s	529.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to Allyl nonanoate.

Sources

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

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