Chemical Properties of Nonanoic acid, methyl ester (CAS 1731-84-6)

InChI

InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-9H2,1-2H3

InChI Key

IJXHLVMUNBOGRR-UHFFFAOYSA-N

Formula

C10H20O2

SMILES

CCCCCCCCC(=O)OC

Molecular Weight¹

172.26

CAS

1731-84-6

Other Names

• Methyl ester nonanoic acid
• Methyl ester of nonanoic acid
• Methyl n-nonanoate
• Pelargonic acid methyl ester
• methyl nonanoate
• methyl nonylate
• methyl pelargonate
• pelargonic acid, methyl ester

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• λ_liquid : Liquid thermal conductivity (W/m×K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Contents

1. Physical Properties
2. Temperature Dependent Properties
3. Datasets
4. Correlations
5. Similar Compounds
6. Sources

Physical Properties

Property	Value	Unit	Source
ω	0.6073		Relay (1.0) Calculated Property
ΔcH°liquid	-6176.80 ± 1.50	kJ/mol	NIST
ΔfG°	-277.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-561.96	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.34	kJ/mol	Heat Capacity Measurements of 13 Methyl Esters of n-Carboxylic Acids from Methyloctanoate to Methyleicosanoate between 5 K and 350 K
ΔvapH°	[57.70; 63.20]	kJ/mol
ΔvapH°	61.60 ± 0.40	kJ/mol	NIST
ΔvapH°	Outlier 57.70 ± 0.70	kJ/mol	NIST
ΔvapH°	62.00 ± 0.50	kJ/mol	NIST
ΔvapH°	61.99 ± 0.41	kJ/mol	NIST
ΔvapH°	62.00 ± 0.40	kJ/mol	NIST
ΔvapH°	63.20	kJ/mol	NIST
IE	9.69	eV	Relay (1.0) Calculated Property
log10WS	[-3.38; -3.38]
log10WS	-3.38		Aq. Solubility Prediction
log10WS	-3.38		Estimated Solubility
logPoct/wat	2.910		Crippen Calculated Property
McVol	159.200	ml/mol	McGowan Calculated Property
Pc	2117.78	kPa	Joback Calculated Property
Inp	[205.30; 1231.00]
Inp	1205.64		NIST
Inp	1205.74		NIST
Inp	1206.38		NIST
Inp	1206.28		NIST
Inp	1213.00		NIST
Inp	1222.00		NIST
Inp	1206.00		NIST
Inp	1202.00		NIST
Inp	1206.00		NIST
Inp	1209.00		NIST
Inp	1204.00		NIST
Inp	1210.00		NIST
Inp	1210.00		NIST
Inp	1227.00		NIST
Inp	1215.00		NIST
Inp	1224.00		NIST
Inp	1210.70		NIST
Inp	1210.70		NIST
Inp	1206.00		NIST
Inp	1211.00		NIST
Inp	1228.50		NIST
Inp	1229.40		NIST
Inp	1205.00		NIST
Inp	1206.00		NIST
Inp	1209.00		NIST
Inp	1215.00		NIST
Inp	1216.00		NIST
Inp	1222.00		NIST
Inp	1224.00		NIST
Inp	1231.00		NIST
Inp	1224.00		NIST
Inp	1227.30		NIST
Inp	1225.00		NIST
Inp	1207.00		NIST
Inp	1226.00		NIST
Inp	1209.00		NIST
Inp	1226.00		NIST
Inp	1205.00		NIST
Inp	1206.00		NIST
Inp	1207.00		NIST
Inp	1207.00		NIST
Inp	1206.00		NIST
Inp	1207.00		NIST
Inp	1206.00		NIST
Inp	1220.00		NIST
Inp	1225.00		NIST
Inp	1220.00		NIST
Inp	1227.00		NIST
Inp	1207.00		NIST
Inp	1209.00		NIST
Inp	1206.00		NIST
Inp	1213.00		NIST
Inp	1211.00		NIST
Inp	1215.00		NIST
Inp	1215.00		NIST
Inp	Outlier 211.60		NIST
Inp	Outlier 205.30		NIST
Inp	1224.00		NIST
Inp	1209.00		NIST
Inp	1207.00		NIST
Inp	1231.00		NIST
Inp	1228.50		NIST
Inp	1227.00		NIST
Inp	1220.00		NIST
Inp	1215.00		NIST
Ip	[1476.00; 1536.00]
Ip	1490.00		NIST
Ip	Outlier 1536.00		NIST
Ip	1481.00		NIST
Ip	1514.00		NIST
Ip	1476.00		NIST
Ip	1508.00		NIST
Ip	Outlier 1529.00		NIST
Ip	1516.00		NIST
Ip	1487.00		NIST
Ip	1515.00		NIST
Ip	1496.00		NIST
Ip	1503.00		NIST
Ip	1486.00		NIST
Ip	1493.00		NIST
Ip	1478.00		NIST
Ip	1491.00		NIST
Ip	1481.00		NIST
Ip	1481.00		NIST
Ip	1491.00		NIST
Ip	1486.00		NIST
Ip	1486.00		NIST
Ip	1500.00		NIST
Ip	1479.00		NIST
Ip	1500.00		NIST
Ip	1507.00		NIST
Ip	1491.00		NIST
Tboil	[486.70; 486.85]	K
Tboil	486.70	K	NIST
Tboil	486.85 ± 0.35	K	NIST
Tboil	486.70 ± 2.00	K	NIST
Tc	662.69	K	Relay (1.0) Calculated Property
Tfus	238.80 ± 0.05	K	NIST
Vc	0.619	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[351.70; 382.00]	J/mol×K	[303.15; 373.15]
Cp,liquid	351.70	J/mol×K	303.15	Heat capacities and thermal diffusivities of some n-alkanoic acid methyl esters
Cp,liquid	354.70	J/mol×K	313.15	Heat capacities and thermal diffusivities of some n-alkanoic acid methyl esters
Cp,liquid	358.60	J/mol×K	323.15	Heat capacities and thermal diffusivities of some n-alkanoic acid methyl esters
Cp,liquid	363.10	J/mol×K	333.15	Heat capacities and thermal diffusivities of some n-alkanoic acid methyl esters
Cp,liquid	367.90	J/mol×K	343.15	Heat capacities and thermal diffusivities of some n-alkanoic acid methyl esters
Cp,liquid	372.80	J/mol×K	353.15	Heat capacities and thermal diffusivities of some n-alkanoic acid methyl esters
Cp,liquid	377.60	J/mol×K	363.15	Heat capacities and thermal diffusivities of some n-alkanoic acid methyl esters
Cp,liquid	382.00	J/mol×K	373.15	Heat capacities and thermal diffusivities of some n-alkanoic acid methyl esters
ΔvapH	[55.60; 57.40]	kJ/mol	[350.00; 401.50]
ΔvapH	57.40	kJ/mol	350.00	NIST
ΔvapH	56.70 ± 0.30	kJ/mol	364.00	NIST
ΔvapH	55.60	kJ/mol	401.50	NIST
λliquid	[0.12; 0.14]	W/m×K	[278.44; 383.21]
λliquid	0.14	W/m×K	278.44	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.14	W/m×K	283.50	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.14	W/m×K	288.50	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.14	W/m×K	293.36	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.14	W/m×K	298.30	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.14	W/m×K	303.31	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.14	W/m×K	308.24	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.14	W/m×K	313.30	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.14	W/m×K	318.29	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.13	W/m×K	323.25	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.13	W/m×K	328.25	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.13	W/m×K	333.06	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.13	W/m×K	338.16	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.13	W/m×K	343.23	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.13	W/m×K	348.07	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.13	W/m×K	353.12	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.13	W/m×K	358.24	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.13	W/m×K	363.07	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.12	W/m×K	368.10	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.12	W/m×K	373.11	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.12	W/m×K	378.24	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.12	W/m×K	383.21	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel

Datasets

1. Viscosity, Pa*s (1)
2. Mass density, kg/m3 (1)

Viscosity, Pa*s

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Viscosity, Pa*s - Liquid
299.19	103.00	0.0016
298.77	4957.00	0.0016
298.42	9955.00	0.0017
298.08	14977.00	0.0018
297.81	20011.00	0.0019
297.50	24979.00	0.0020
297.15	30034.00	0.0021
303.10	106.00	0.0015
303.08	4961.00	0.0015
303.01	9972.00	0.0016
303.09	15047.00	0.0017
303.09	19964.00	0.0018
302.91	24994.00	0.0018
302.95	30000.00	0.0019
312.38	99.00	0.0013
312.32	4993.00	0.0013
312.28	9996.00	0.0014
312.28	14963.00	0.0014
312.27	19968.00	0.0015
312.19	25005.00	0.0016
312.06	29961.00	0.0016
321.64	96.00	0.0011
321.60	4982.00	0.0011
321.56	10020.00	0.0012
321.61	15017.00	0.0013
321.49	19988.00	0.0013
321.36	24985.00	0.0014
321.26	29949.00	0.0014
331.26	108.00	0.0009
331.23	5027.00	0.0010
331.13	9979.00	0.0010
331.20	14998.00	0.0011
330.94	19996.00	0.0011
331.13	25032.00	0.0012
330.93	30013.00	0.0012
341.21	96.00	0.0008
341.03	4962.00	0.0009
341.06	10010.00	0.0009
341.14	15019.00	0.0009
340.91	19959.00	0.0010
340.95	25015.00	0.0010
340.96	30009.00	0.0011
351.04	101.00	0.0007
350.95	4985.00	0.0008
350.88	9984.00	0.0008
350.81	14959.00	0.0008
350.86	20020.00	0.0009
350.74	24964.00	0.0009
350.73	29961.00	0.0010
360.96	98.00	0.0006
360.86	4959.00	0.0007
360.82	9960.00	0.0007
360.89	14997.00	0.0007
360.71	19982.00	0.0008
360.61	25005.00	0.0008
360.67	29996.00	0.0008
Reference

Mass density, kg/m3

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Mass density, kg/m3 - Liquid
293.15	100.00	874.53
293.15	1000.00	874.57
293.15	3000.00	876.13
293.15	5000.00	877.24
293.15	10000.00	880.79
293.15	15000.00	884.05
293.15	20000.00	887.23
293.15	25000.00	890.33
293.15	30000.00	893.33
293.15	35000.00	896.14
293.15	40000.00	898.87
293.15	50000.00	904.41
293.15	60000.00	909.15
303.15	100.00	865.62
303.15	1000.00	866.39
303.15	3000.00	867.88
303.15	5000.00	869.35
303.15	10000.00	872.9
303.15	15000.00	876.32
303.15	20000.00	879.53
303.15	25000.00	882.74
303.15	30000.00	885.85
303.15	35000.00	888.79
303.15	40000.00	891.61
303.15	50000.00	897.21
303.15	60000.00	902.44
313.15	100.00	857.46
313.15	1000.00	857.68
313.15	3000.00	859.33
313.15	5000.00	860.86
313.15	10000.00	864.63
313.15	15000.00	868.21
313.15	20000.00	871.68
313.15	25000.00	875.06
313.15	30000.00	878.23
313.15	35000.00	881.36
313.15	40000.00	884.18
313.15	50000.00	890.09
313.15	60000.00	895.33
323.15	100.00	848.37
323.15	1000.00	849.17
323.15	3000.00	850.82
323.15	5000.00	852.43
323.15	10000.00	856.42
323.15	15000.00	860.21
323.15	20000.00	863.98
323.15	25000.00	867.27
323.15	30000.00	870.68
323.15	35000.00	873.86
323.15	40000.00	877.04
323.15	50000.00	883.08
323.15	60000.00	888.79
333.15	100.00	839.92
333.15	1000.00	840.72
333.15	3000.00	842.6
333.15	5000.00	844.26
333.15	10000.00	848.44
333.15	15000.00	852.27
333.15	20000.00	856.18
333.15	25000.00	859.9
333.15	30000.00	863.32
333.15	35000.00	866.68
333.15	40000.00	870.12
333.15	50000.00	876.13
333.15	60000.00	881.95
343.15	100.00	831.17
343.15	1000.00	832.28
343.15	3000.00	834.1
343.15	5000.00	835.98
343.15	10000.00	840.27
343.15	15000.00	844.44
343.15	20000.00	848.65
343.15	25000.00	852.29
343.15	30000.00	856.04
343.15	35000.00	859.58
343.15	40000.00	862.91
343.15	50000.00	869.47
343.15	60000.00	875.25
353.15	100.00	822.78
353.15	1000.00	823.57
353.15	3000.00	825.7
353.15	5000.00	827.54
353.15	10000.00	832.17
353.15	15000.00	836.71
353.15	20000.00	840.79
353.15	25000.00	844.86
353.15	30000.00	848.7
353.15	35000.00	852.44
353.15	40000.00	855.87
353.15	50000.00	862.53
353.15	60000.00	868.9
363.15	100.00	814.24
363.15	1000.00	815.28
363.15	3000.00	817.47
363.15	5000.00	819.49
363.15	10000.00	824.1
363.15	15000.00	829.08
363.15	20000.00	833.26
363.15	25000.00	837.27
363.15	30000.00	841.4
363.15	35000.00	845.31
363.15	40000.00	849.11
363.15	50000.00	855.98
363.15	60000.00	862.59
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[233.96; 543.35]	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			1.92070e+01
Coefficient B			8.99040e-01
Coefficient C			-4.25600e-04
Coefficient D			5.07000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	233.96	J/mol×K	273.00	Calculated Property
Cp,gas	286.24	J/mol×K	353.78	Calculated Property
Cp,gas	333.68	J/mol×K	434.56	Calculated Property
Cp,gas	376.42	J/mol×K	515.33	Calculated Property
Cp,gas	414.64	J/mol×K	596.11	Calculated Property
Cp,gas	448.48	J/mol×K	676.89	Calculated Property
Cp,gas	478.11	J/mol×K	757.67	Calculated Property
Cp,gas	503.69	J/mol×K	838.44	Calculated Property
Cp,gas	525.38	J/mol×K	919.22	Calculated Property
Cp,gas	543.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0069092; 0.0002549]	Pa×s	[238.80; 459.21]	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			-1.18499e+01
Coefficient B			1.64176e+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.			238.80
Temperature range, max.			459.21
η	0.0069092	Pa×s	238.80	Calculated Property
η	0.0036450	Pa×s	263.29	Calculated Property
η	0.0021441	Pa×s	287.78	Calculated Property
η	0.0013707	Pa×s	312.27	Calculated Property
η	0.0009352	Pa×s	336.76	Calculated Property
η	0.0006720	Pa×s	361.25	Calculated Property
η	0.0005036	Pa×s	385.74	Calculated Property
η	0.0003906	Pa×s	410.23	Calculated Property
η	0.0003117	Pa×s	434.72	Calculated Property
η	0.0002549	Pa×s	459.21	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[366.32; 515.91]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.50470e+01
Coefficient B			-4.27846e+03
Coefficient C			-7.64390e+01
Temperature range, min.			366.32
Temperature range, max.			515.91
Pvap	1.33	kPa	366.32	Calculated Property
Pvap	2.97	kPa	382.94	Calculated Property
Pvap	6.09	kPa	399.56	Calculated Property
Pvap	11.63	kPa	416.18	Calculated Property
Pvap	20.93	kPa	432.80	Calculated Property
Pvap	35.74	kPa	449.43	Calculated Property
Pvap	58.29	kPa	466.05	Calculated Property
Pvap	91.36	kPa	482.67	Calculated Property
Pvap	138.21	kPa	499.29	Calculated Property
Pvap	202.65	kPa	515.91	Calculated Property

Similar Compounds

Find more compounds similar to Nonanoic acid, methyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• High-pressure liquid densities of fatty acid methyl esters: Measurement and prediction with the PC-SAFT equation of state
• Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
• Heat capacities and thermal diffusivities of some n-alkanoic acid methyl esters
• Liquid viscosities for methyl hexanoate, methyl heptanoate, methyl caprylate, and methyl nonanoate at high pressures
• Heat Capacity Measurements of 13 Methyl Esters of n-Carboxylic Acids from Methyloctanoate to Methyleicosanoate between 5 K and 350 K
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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