Chemical Properties of Nonanoic acid, ethyl ester (CAS 123-29-5)

InChI

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

InChI Key

BYEVBITUADOIGY-UHFFFAOYSA-N

Formula

C11H22O2

SMILES

CCCCCCCCC(=O)OCC

Molecular Weight¹

186.29

CAS

123-29-5

Other Names

• Ethyl n-nonanoate
• Ethyl nonanoate
• Ethyl nonylate
• Ethyl pelargonate
• Wine ether

• 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_fH°_liquid : Liquid phase 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).
• 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.
• c_sound,fluid : Speed of sound in fluid (m/s).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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.

Contents

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

Physical Properties

Property	Value	Unit	Source
ΔfG°	-192.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-590.00 ± 3.00	kJ/mol	NIST
ΔfH°liquid	-653.90 ± 2.10	kJ/mol	NIST
ΔfusH°	27.03	kJ/mol	Joback Calculated Property
ΔvapH°	[63.90; 64.00]	kJ/mol
ΔvapH°	64.00 ± 1.00	kJ/mol	NIST
ΔvapH°	63.90	kJ/mol	NIST
log10WS	[-3.80; -3.80]
log10WS	-3.80		Aq. Sol...
log10WS	-3.80		Estimat...
logPoct/wat	3.300		Crippen Calculated Property
McVol	173.290	ml/mol	McGowan Calculated Property
Pc	2014.51	kPa	Joback Calculated Property
Inp	[1268.00; 1320.00]
Inp	1274.00		NIST
Inp	1277.00		NIST
Inp	1284.00		NIST
Inp	1284.00		NIST
Inp	1304.00		NIST
Inp	1277.00		NIST
Inp	1279.00		NIST
Inp	1279.00		NIST
Inp	1281.00		NIST
Inp	1295.00		NIST
Inp	1294.00		NIST
Inp	1294.00		NIST
Inp	Outlier 1319.00		NIST
Inp	Outlier 1320.00		NIST
Inp	Outlier 1319.00		NIST
Inp	Outlier 1320.00		NIST
Inp	1288.00		NIST
Inp	1296.00		NIST
Inp	1280.00		NIST
Inp	1296.00		NIST
Inp	1294.00		NIST
Inp	1296.00		NIST
Inp	1297.00		NIST
Inp	1294.00		NIST
Inp	1285.00		NIST
Inp	1297.00		NIST
Inp	1282.00		NIST
Inp	Outlier 1319.00		NIST
Inp	Outlier 1320.00		NIST
Inp	1279.00		NIST
Inp	1280.00		NIST
Inp	1275.00		NIST
Inp	1279.00		NIST
Inp	1282.00		NIST
Inp	1279.00		NIST
Inp	1295.00		NIST
Inp	1298.00		NIST
Inp	1300.00		NIST
Inp	1296.00		NIST
Inp	1293.00		NIST
Inp	1294.00		NIST
Inp	1296.00		NIST
Inp	1288.00		NIST
Inp	1280.00		NIST
Inp	1294.00		NIST
Inp	1294.00		NIST
Inp	1298.00		NIST
Inp	1268.00		NIST
Inp	1281.00		NIST
Inp	1279.00		NIST
Inp	1279.00		NIST
Inp	1280.00		NIST
Inp	1295.00		NIST
Inp	Outlier 1319.00		NIST
Inp	1274.00		NIST
Inp	1277.00		NIST
Inp	1280.00		NIST
Inp	1294.00		NIST
Inp	Outlier 1320.00		NIST
Inp	1282.00		NIST
Inp	1279.00		NIST
I	[1509.00; 1581.00]
I	1548.00		NIST
I	Outlier 1579.00		NIST
I	1538.00		NIST
I	Outlier 1580.00		NIST
I	1531.00		NIST
I	1570.00		NIST
I	1541.00		NIST
I	1531.00		NIST
I	1530.00		NIST
I	1530.00		NIST
I	1563.00		NIST
I	1528.00		NIST
I	1537.00		NIST
I	1528.00		NIST
I	1526.00		NIST
I	1553.00		NIST
I	1535.00		NIST
I	1536.00		NIST
I	1541.00		NIST
I	1532.00		NIST
I	1509.00		NIST
I	1533.00		NIST
I	1521.00		NIST
I	1520.00		NIST
I	1521.00		NIST
I	1525.00		NIST
I	1545.00		NIST
I	1527.00		NIST
I	1529.00		NIST
I	1527.00		NIST
I	1529.00		NIST
I	1534.00		NIST
I	1520.00		NIST
I	1526.00		NIST
I	1526.00		NIST
I	Outlier 1581.00		NIST
I	Outlier 1581.00		NIST
I	Outlier 1581.00		NIST
I	1568.00		NIST
I	1523.00		NIST
I	1552.00		NIST
I	1523.00		NIST
I	1531.00		NIST
I	1535.00		NIST
I	1533.00		NIST
I	1545.00		NIST
I	1548.00		NIST
I	1570.00		NIST
Tboil	[490.15; 500.15]	K
Tboil	500.15 ± 1.00	K	NIST
Tboil	500.15 ± 1.00	K	NIST
Tboil	500.15 ± 2.00	K	NIST
Tboil	490.15 ± 8.00	K	NIST
Tc	[663.90; 673.96]	K
Tc	663.90 ± 3.00	K	NIST
Tc	673.96 ± 6.00	K	NIST
Tfus	[228.70; 232.80]	K
Tfus	232.80	K	Aq. Sol...
Tfus	228.70 ± 0.20	K	NIST
Vc	0.675	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[415.24; 496.57]	J/mol×K	[527.37; 698.36]
Cp,gas	415.24	J/mol×K	527.37	Joback Calculated Property
Cp,gas	430.19	J/mol×K	555.87	Joback Calculated Property
Cp,gas	444.58	J/mol×K	584.37	Joback Calculated Property
Cp,gas	458.41	J/mol×K	612.87	Joback Calculated Property
Cp,gas	471.67	J/mol×K	641.36	Joback Calculated Property
Cp,gas	484.39	J/mol×K	669.86	Joback Calculated Property
Cp,gas	496.57	J/mol×K	698.36	Joback Calculated Property
η	[0.0002056; 0.0032030]	Pa×s	[285.89; 527.37]
η	0.0032030	Pa×s	285.89	Joback Calculated Property
η	0.0015281	Pa×s	326.14	Joback Calculated Property
η	0.0008577	Pa×s	366.38	Joback Calculated Property
η	0.0005398	Pa×s	406.63	Joback Calculated Property
η	0.0003692	Pa×s	446.88	Joback Calculated Property
η	0.0002689	Pa×s	487.12	Joback Calculated Property
η	0.0002056	Pa×s	527.37	Joback Calculated Property
ρl	866.30	kg/m3	293.20	Modelin...

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	392.20	K	3.10	NIST

Datasets

1. Molar heat capacity at constant pressure, J/K/mol (1)
2. Speed of sound, m/s (1)

Molar heat capacity at constant pressure, J/K/mol

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Molar heat capacity at constant pressure, J/K/mol - Liquid
303.31	110.00	371.00
303.25	5000.00	371.00
303.22	9980.00	370.00
303.21	15150.00	369.00
303.24	20090.00	369.00
303.27	24930.00	368.00
313.23	170.00	377.00
313.26	5090.00	377.00
313.24	9850.00	376.00
313.22	14910.00	376.00
313.21	19900.00	375.00
313.24	24930.00	374.00
323.22	110.00	386.00
323.19	4970.00	385.00
323.23	10020.00	384.00
323.26	15190.00	383.00
323.24	20090.00	382.00
323.22	24920.00	382.00
333.18	140.00	394.00
333.16	4930.00	393.00
333.18	9950.00	393.00
333.21	15110.00	393.00
333.19	20150.00	392.00
333.23	25020.00	392.00
343.20	110.00	401.00
343.19	5070.00	400.00
343.19	9940.00	400.00
343.19	14950.00	400.00
343.21	19870.00	399.00
343.22	25210.00	399.00
353.14	160.00	407.00
353.11	4910.00	407.00
353.14	10160.00	406.00
353.15	14930.00	406.00
353.20	20210.00	405.00
353.23	25190.00	405.00
363.12	110.00	414.00
363.14	5090.00	413.00
363.17	10020.00	413.00
363.16	15060.00	412.00
363.17	20130.00	411.00
363.19	25160.00	410.00
373.12	100.00	420.00
373.12	4830.00	420.00
373.13	10020.00	419.00
373.13	15150.00	418.00
373.14	20170.00	418.00
373.14	24950.00	417.00
383.18	160.00	427.00
383.20	4950.00	426.00
383.20	10190.00	425.00
383.20	15000.00	425.00
383.22	20130.00	424.00
383.22	24950.00	424.00
393.18	110.00	434.00
393.18	5090.00	433.00
393.18	10020.00	433.00
393.19	15150.00	433.00
393.20	20190.00	432.00
393.24	24960.00	432.00
Reference

Speed of sound, m/s

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Speed of sound, m/s - Liquid
295.67	100.00	1303.3
303.48	100.00	1273.9
313.77	100.00	1224.9
323.68	100.00	1183.3
334.94	100.00	1142.9
343.51	100.00	1107.8
354.18	100.00	1065.4
364.18	100.00	1028.8
371.99	100.00	1003.0
381.89	100.00	965.2
391.89	100.00	932.1
405.01	100.00	884.0
413.84	100.00	861.2
422.07	100.00	827.6
432.93	100.00	797.1
443.70	100.00	767.3
452.83	100.00	739.6
464.19	100.00	703.5
471.88	100.00	683.0
482.75	100.00	652.6
295.53	1000.00	1318.3
303.26	1000.00	1278.4
313.14	1000.00	1242.7
324.85	1000.00	1195.5
333.21	1000.00	1163.1
343.24	1000.00	1123.8
352.22	1000.00	1085.5
363.30	1000.00	1046.0
371.91	1000.00	1012.3
384.30	1000.00	971.3
391.75	1000.00	939.5
403.31	1000.00	902.3
412.98	1000.00	870.1
421.83	1000.00	842.1
431.53	1000.00	808.9
442.94	1000.00	779.7
452.50	1000.00	750.6
462.68	1000.00	720.1
471.87	1000.00	693.4
482.55	1000.00	665.4
493.00	1000.00	637.4
502.95	1000.00	607.9
513.20	1000.00	581.3
522.13	1000.00	555.5
533.35	1000.00	519.4
543.62	1000.00	491.0
552.71	1000.00	458.7
562.08	1000.00	428.6
571.96	1000.00	387.2
295.41	3000.00	1327.1
303.22	3000.00	1296.2
313.56	3000.00	1252.4
324.78	3000.00	1204.3
332.93	3000.00	1175.1
342.88	3000.00	1137.2
351.94	3000.00	1098.9
362.97	3000.00	1063.9
372.73	3000.00	1024.3
381.96	3000.00	995.2
391.81	3000.00	961.1
403.46	3000.00	921.8
412.73	3000.00	893.7
422.02	3000.00	862.5
432.05	3000.00	827.6
443.11	3000.00	796.4
452.88	3000.00	771.1
462.31	3000.00	743.5
471.80	3000.00	718.5
482.56	3000.00	691.9
492.57	3000.00	660.7
502.65	3000.00	635.1
512.83	3000.00	609.6
522.31	3000.00	583.9
533.60	3000.00	552.1
542.72	3000.00	528.8
552.52	3000.00	500.5
562.48	3000.00	468.4
571.78	3000.00	435.9
582.39	3000.00	393.3
591.81	3000.00	351.2
295.35	5000.00	1336.6
303.41	5000.00	1298.0
314.03	5000.00	1262.6
323.64	5000.00	1215.5
334.21	5000.00	1185.0
343.12	5000.00	1153.6
353.27	5000.00	1106.1
361.97	5000.00	1078.7
371.77	5000.00	1046.8
381.51	5000.00	1011.2
391.70	5000.00	974.2
403.82	5000.00	929.8
413.05	5000.00	904.2
421.50	5000.00	875.4
431.84	5000.00	850.9
443.15	5000.00	814.1
452.65	5000.00	786.9
462.49	5000.00	763.0
471.86	5000.00	737.7
482.62	5000.00	709.2
492.67	5000.00	681.7
503.42	5000.00	655.5
512.90	5000.00	633.5
522.36	5000.00	609.3
533.69	5000.00	581.4
542.91	5000.00	553.5
552.72	5000.00	527.6
562.32	5000.00	499.9
572.37	5000.00	472.0
582.01	5000.00	439.9
592.38	5000.00	398.5
295.29	7000.00	1342.4
303.30	7000.00	1307.0
313.45	7000.00	1266.0
322.95	7000.00	1231.4
334.21	7000.00	1191.7
343.31	7000.00	1157.3
353.32	7000.00	1114.4
362.59	7000.00	1085.6
373.26	7000.00	1045.8
383.69	7000.00	1011.5
391.74	7000.00	985.8
403.36	7000.00	943.9
412.81	7000.00	917.8
422.00	7000.00	891.0
431.88	7000.00	861.7
443.00	7000.00	835.6
452.64	7000.00	805.0
462.34	7000.00	783.1
471.86	7000.00	756.6
482.58	7000.00	727.2
492.66	7000.00	704.9
502.91	7000.00	681.8
512.78	7000.00	655.0
522.19	7000.00	631.9
533.43	7000.00	605.6
542.79	7000.00	583.0
552.61	7000.00	558.1
562.40	7000.00	532.0
572.13	7000.00	504.6
582.26	7000.00	473.6
592.79	7000.00	438.3
295.24	10000.00	1348.5
303.18	10000.00	1318.0
313.08	10000.00	1283.3
323.39	10000.00	1246.8
332.89	10000.00	1208.8
343.10	10000.00	1170.1
352.39	10000.00	1135.0
363.00	10000.00	1106.9
373.24	10000.00	1068.4
383.17	10000.00	1037.3
391.74	10000.00	1009.8
403.47	10000.00	968.6
412.73	10000.00	936.6
421.98	10000.00	916.0
431.86	10000.00	888.7
443.02	10000.00	860.3
452.68	10000.00	835.1
462.43	10000.00	804.8
471.95	10000.00	783.4
482.62	10000.00	759.9
492.48	10000.00	735.7
503.08	10000.00	709.9
512.80	10000.00	689.4
522.38	10000.00	662.0
533.52	10000.00	637.0
542.76	10000.00	619.6
552.76	10000.00	596.5
562.45	10000.00	574.7
572.32	10000.00	549.0
582.35	10000.00	525.5
593.15	10000.00	495.3
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[377.12; 521.76]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.56251e+01
Coefficient B			-4.55414e+03
Coefficient C			-8.01920e+01
Temperature range, min.			377.12
Temperature range, max.			521.76
Pvap	1.33	kPa	377.12	Calculated Property
Pvap	2.93	kPa	393.19	Calculated Property
Pvap	5.96	kPa	409.26	Calculated Property
Pvap	11.36	kPa	425.33	Calculated Property
Pvap	20.43	kPa	441.40	Calculated Property
Pvap	34.96	kPa	457.48	Calculated Property
Pvap	57.25	kPa	473.55	Calculated Property
Pvap	90.19	kPa	489.62	Calculated Property
Pvap	137.28	kPa	505.69	Calculated Property
Pvap	202.66	kPa	521.76	Calculated Property

Similar Compounds

Find more compounds similar to Nonanoic acid, ethyl ester.

Mixtures

• Carbon dioxide + Nonanoic acid, ethyl ester
• Nonanoic acid, ethyl ester + Morpholine + Water

Sources

• Crippen Method
• Modeling extraction equilibria of butyric acid distributed between water and tri-n-butyl amine/diluent or tri-n-butyl phosphate/diluent system: Extension of the LSER approach
• Experimental and correlational study of isobaric molar heat capacities of fatty acid esters: Ethyl nonanoate and ethyl dodecanoate
• Speed of Sound and Derived Properties of Ethyl Nonanoate
• Liquid Phase Equilibria for Mixtures of (Water + Morpholine + Ethyl Nonanoate, Dimethyl Phthalate, or Isoamyl Alcohol) at 298.15 K
• Development of a Predictive Equation of State for CO2 + Ethyl Ester Mixtures Based on Critical Points Measurements
• Joback Method
• KDB
• 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.