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
• Methyl nonanoate
• Methyl nonylate
• Methyl pelargonate
• Pelargonic acid methyl ester
• pelargonic acid, methyl ester

• 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).
• 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 : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• λ : 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
ΔcH°liquid	-6176.80 ± 1.50	kJ/mol	NIST
ΔfG°	-200.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-494.53	kJ/mol	Joback Calculated Property
ΔfusH°	27.34	kJ/mol	Heat Ca...
ΔvapH°	47.01	kJ/mol	Joback Calculated Property
log10WS	[-3.38; -3.38]
log10WS	-3.38		Aq. Sol...
log10WS	-3.38		Estimat...
logPoct/wat	2.910		Crippen Calculated Property
McVol	159.200	ml/mol	McGowan Calculated Property
Pc	2200.01	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	1227.00		NIST
I	[1476.00; 1536.00]
I	1490.00		NIST
I	Outlier 1536.00		NIST
I	1481.00		NIST
I	1514.00		NIST
I	1476.00		NIST
I	1508.00		NIST
I	Outlier 1529.00		NIST
I	1516.00		NIST
I	1487.00		NIST
I	1515.00		NIST
I	1496.00		NIST
I	1503.00		NIST
I	1486.00		NIST
I	1493.00		NIST
I	1478.00		NIST
I	1491.00		NIST
I	1481.00		NIST
I	1481.00		NIST
I	1491.00		NIST
I	1486.00		NIST
I	1486.00		NIST
I	1500.00		NIST
I	1479.00		NIST
I	1500.00		NIST
I	1507.00		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	676.79	K	Joback Calculated Property
Tfus	238.80 ± 0.05	K	NIST
Vc	0.620	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[368.11; 445.25]	J/mol×K	[504.49; 676.79]
T(K) Ideal gas heat capacity (J/mol×K) 380 400 420 440 550 600 650
Cp,gas	368.11	J/mol×K	504.49	Joback Calculated Property
Cp,gas	382.26	J/mol×K	533.21	Joback Calculated Property
Cp,gas	395.89	J/mol×K	561.92	Joback Calculated Property
Cp,gas	409.00	J/mol×K	590.64	Joback Calculated Property
Cp,gas	421.59	J/mol×K	619.36	Joback Calculated Property
Cp,gas	433.67	J/mol×K	648.08	Joback Calculated Property
Cp,gas	445.25	J/mol×K	676.79	Joback Calculated Property
Cp,liquid	[351.70; 382.00]	J/mol×K	[303.15; 373.15]
T(K) Liquid phase heat capacity (J/mol×K) 350 355 360 365 370 375 380 385 320 340 360
Cp,liquid	351.70	J/mol×K	303.15	Heat ca...
Cp,liquid	354.70	J/mol×K	313.15	Heat ca...
Cp,liquid	358.60	J/mol×K	323.15	Heat ca...
Cp,liquid	363.10	J/mol×K	333.15	Heat ca...
Cp,liquid	367.90	J/mol×K	343.15	Heat ca...
Cp,liquid	372.80	J/mol×K	353.15	Heat ca...
Cp,liquid	377.60	J/mol×K	363.15	Heat ca...
Cp,liquid	382.00	J/mol×K	373.15	Heat ca...
η	[0.0002230; 0.0032806]	Pa×s	[274.62; 504.49]
T(K) Dynamic viscosity (Pa×s) 0 5.00e-4 1.00e-3 1.50e-3 2.00e-3 2.50e-3 3.00e-3 3.50e-3 300 400 500
η	0.0032806	Pa×s	274.62	Joback Calculated Property
η	0.0015931	Pa×s	312.93	Joback Calculated Property
η	0.0009057	Pa×s	351.24	Joback Calculated Property
η	0.0005753	Pa×s	389.56	Joback Calculated Property
η	0.0003964	Pa×s	427.87	Joback Calculated Property
η	0.0002904	Pa×s	466.18	Joback Calculated Property
η	0.0002230	Pa×s	504.49	Joback Calculated Property
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
λ	[0.12; 0.14]	W/m×K	[278.44; 383.21]
T(K) Liquid thermal conductivity (W/m×K) 0.12 0.13 0.13 0.14 0.14 0.15 300 350
λ	0.14	W/m×K	278.44	Experim...
λ	0.14	W/m×K	283.50	Experim...
λ	0.14	W/m×K	288.50	Experim...
λ	0.14	W/m×K	293.36	Experim...
λ	0.14	W/m×K	298.30	Experim...
λ	0.14	W/m×K	303.31	Experim...
λ	0.14	W/m×K	308.24	Experim...
λ	0.14	W/m×K	313.30	Experim...
λ	0.14	W/m×K	318.29	Experim...
λ	0.13	W/m×K	323.25	Experim...
λ	0.13	W/m×K	328.25	Experim...
λ	0.13	W/m×K	333.06	Experim...
λ	0.13	W/m×K	338.16	Experim...
λ	0.13	W/m×K	343.23	Experim...
λ	0.13	W/m×K	348.07	Experim...
λ	0.13	W/m×K	353.12	Experim...
λ	0.13	W/m×K	358.24	Experim...
λ	0.13	W/m×K	363.07	Experim...
λ	0.12	W/m×K	368.10	Experim...
λ	0.12	W/m×K	373.11	Experim...
λ	0.12	W/m×K	378.24	Experim...
λ	0.12	W/m×K	383.21	Experim...

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
Pvap	[1.33; 202.65]	kPa	[366.32; 515.91]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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
T(K) Vapor pressure (kPa) 0 50 100 150 200 400 450 500
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

• 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.