Chemical Properties of Acetic acid, nonyl ester (CAS 143-13-5)

InChI

InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h3-10H2,1-2H3

InChI Key

GJQIMXVRFNLMTB-UHFFFAOYSA-N

Formula

C11H22O2

SMILES

CCCCCCCCCOC(C)=O

Molecular Weight¹

186.29

CAS

143-13-5

Other Names

• 1-acetoxynonane
• Acetic acid n-nonyl ester
• Nonanol acetate
• ethanoic acid, nonyl ester
• n-Nonanyl acetate
• n-Nonyl acetate
• n-Nonyl ethanoate
• nonyl acetate
• nonyl ethanoate
• pelargonyl acetate

• 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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I_p : 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	0.6471		Relay (1.0) Calculated Property
ΔfG°	-268.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-599.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.61	kJ/mol	Joback Calculated Property
ΔvapH°	[66.20; 67.00]	kJ/mol
ΔvapH°	66.20 ± 0.20	kJ/mol	NIST
ΔvapH°	66.80	kJ/mol	NIST
ΔvapH°	67.00	kJ/mol	NIST
IE	9.58	eV	Relay (1.0) Calculated Property
log10WS	-3.88		Relay (1.0) Calculated Property
logPoct/wat	3.300		Crippen Calculated Property
McVol	173.290	ml/mol	McGowan Calculated Property
Pc	1942.37	kPa	Joback Calculated Property
Inp	[1284.00; 1325.00]
Inp	1309.00		NIST
Inp	1308.00		NIST
Inp	1308.00		NIST
Inp	1289.39		NIST
Inp	1310.45		NIST
Inp	1291.70		NIST
Inp	1292.00		NIST
Inp	1293.00		NIST
Inp	1285.00		NIST
Inp	1289.80		NIST
Inp	1290.00		NIST
Inp	1295.00		NIST
Inp	1294.00		NIST
Inp	1293.00		NIST
Inp	1295.00		NIST
Inp	1309.00		NIST
Inp	1302.00		NIST
Inp	1308.00		NIST
Inp	1313.00		NIST
Inp	1302.00		NIST
Inp	1308.00		NIST
Inp	1302.00		NIST
Inp	Outlier 1325.00		NIST
Inp	1315.00		NIST
Inp	1304.00		NIST
Inp	1308.00		NIST
Inp	1292.00		NIST
Inp	1290.00		NIST
Inp	1292.00		NIST
Inp	1296.00		NIST
Inp	1309.00		NIST
Inp	1284.00		NIST
Inp	1292.00		NIST
Inp	1311.00		NIST
Inp	1311.00		NIST
Inp	1291.00		NIST
Inp	1308.00		NIST
Inp	1292.00		NIST
Inp	1290.00		NIST
Inp	1292.00		NIST
Inp	1291.00		NIST
Inp	1293.00		NIST
Inp	1293.00		NIST
Inp	1295.00		NIST
Inp	1300.00		NIST
Inp	1316.00		NIST
Inp	1311.00		NIST
Inp	1292.00		NIST
Inp	1314.00		NIST
Inp	1294.00		NIST
Inp	1289.39		NIST
Inp	1293.00		NIST
Inp	1295.00		NIST
Ip	[1560.00; 1617.00]
Ip	1568.00		NIST
Ip	1593.00		NIST
Ip	1602.00		NIST
Ip	1579.00		NIST
Ip	Outlier 1617.00		NIST
Ip	1582.00		NIST
Ip	1587.00		NIST
Ip	1578.00		NIST
Ip	1560.00		NIST
Ip	1570.00		NIST
Ip	1581.00		NIST
Ip	1582.00		NIST
Ip	1585.00		NIST
Ip	1575.00		NIST
Ip	1581.00		NIST
Ip	1573.00		NIST
Ip	1574.00		NIST
Ip	1569.00		NIST
Ip	1587.00		NIST
Ip	1602.20		NIST
Ip	1602.20		NIST
Ip	1579.00		NIST
Ip	1581.00		NIST
Ip	1560.00		NIST
Ip	1588.00		NIST
Ip	Outlier 1610.00		NIST
Ip	1560.00		NIST
Ip	1584.00		NIST
Ip	1584.00		NIST
Ip	1588.00		NIST
Ip	1568.00		NIST
Ip	1582.00		NIST
Ip	1581.00		NIST
Ip	1573.00		NIST
Ip	1578.00		NIST
Tboil	497.00 ± 4.00	K	NIST
Tc	673.88	K	Relay (1.0) Calculated Property
Tfus	247.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.680	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Pvap	[7.00e-04; 0.01]	kPa	[276.70; 309.20]
Pvap	7.00e-04	kPa	276.70	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	8.60e-04	kPa	278.70	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	1.17e-03	kPa	281.80	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	1.59e-03	kPa	284.80	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	2.14e-03	kPa	287.80	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	2.89e-03	kPa	290.90	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	3.89e-03	kPa	294.00	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	5.04e-03	kPa	297.00	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	6.72e-03	kPa	300.00	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	8.95e-03	kPa	303.10	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	0.01	kPa	306.10	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	0.01	kPa	309.20	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[255.17; 594.94]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.82980e+01
Coefficient B			9.94040e-01
Coefficient C			-4.80000e-04
Coefficient D			6.26000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	255.17	J/mol×K	273.00	Calculated Property
Cp,gas	312.66	J/mol×K	353.78	Calculated Property
Cp,gas	364.76	J/mol×K	434.56	Calculated Property
Cp,gas	411.65	J/mol×K	515.33	Calculated Property
Cp,gas	453.55	J/mol×K	596.11	Calculated Property
Cp,gas	490.64	J/mol×K	676.89	Calculated Property
Cp,gas	523.13	J/mol×K	757.67	Calculated Property
Cp,gas	551.21	J/mol×K	838.44	Calculated Property
Cp,gas	575.08	J/mol×K	919.22	Calculated Property
Cp,gas	594.94	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0071053; 0.0002457]	Pa×s	[247.15; 474.41]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.19707e+01
Coefficient B			1.73592e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			247.15
Temperature range, max.			474.41
η	0.0071053	Pa×s	247.15	Calculated Property
η	0.0037053	Pa×s	272.40	Calculated Property
η	0.0021579	Pa×s	297.65	Calculated Property
η	0.0013676	Pa×s	322.90	Calculated Property
η	0.0009260	Pa×s	348.15	Calculated Property
η	0.0006610	Pa×s	373.40	Calculated Property
η	0.0004924	Pa×s	398.65	Calculated Property
η	0.0003799	Pa×s	423.91	Calculated Property
η	0.0003018	Pa×s	449.16	Calculated Property
η	0.0002457	Pa×s	474.41	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[367.22; 525.24]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.45695e+01
Coefficient B			-4.15885e+03
Coefficient C			-7.60220e+01
Temperature range, min.			367.22
Temperature range, max.			525.24
Pvap	1.33	kPa	367.22	Calculated Property
Pvap	3.00	kPa	384.78	Calculated Property
Pvap	6.20	kPa	402.34	Calculated Property
Pvap	11.88	kPa	419.89	Calculated Property
Pvap	21.39	kPa	437.45	Calculated Property
Pvap	36.45	kPa	455.01	Calculated Property
Pvap	59.25	kPa	472.57	Calculated Property
Pvap	92.42	kPa	490.12	Calculated Property
Pvap	139.06	kPa	507.68	Calculated Property
Pvap	202.65	kPa	525.24	Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, nonyl ester.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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