Chemical Properties of Acetic acid, 2-ethylhexyl ester (CAS 103-09-3)

InChI

InChI=1S/C10H20O2/c1-4-6-7-10(5-2)8-12-9(3)11/h10H,4-8H2,1-3H3

InChI Key

WOYWLLHHWAMFCB-UHFFFAOYSA-N

Formula

C10H20O2

SMILES

CCCCC(CC)COC(C)=O

Molecular Weight¹

172.26

CAS

103-09-3

Other Names

• .beta.-ethylhexyl acetate
• 1-hexanol, 2-ethyl-, acetate
• 2-ETHYL-1-HEXANOL ACETATE
• 2-ETHYLHEXYL ACETATE
• 2-ETHYLHEXYL ETHANOATE
• 2-Ethyl-1-hexyl acetate
• 2-Ethylhexanyl acetate
• 2-Ethylhexylester kyseliny octove
• Acetic acid «alpha»-ethylhexyl ester
• Acetic acid «alpha»-ethylhexyl ester
• Ethyl(2)-hexyl acetate
• NSC 8897
• Octyl acetate
• «beta»-Ethylhexyl acetate
• «beta»-Ethylhexyl acetate

• 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).
• 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).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• 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. Mixtures
7. Sources

Physical Properties

Property	Value	Unit	Source
ΔfG°	-203.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-499.81	kJ/mol	Joback Calculated Property
ΔfusH°	20.92	kJ/mol	Joback Calculated Property
ΔvapH°	46.62	kJ/mol	Joback Calculated Property
log10WS	-2.63		Crippen Calculated Property
logPoct/wat	2.766		Crippen Calculated Property
McVol	159.200	ml/mol	McGowan Calculated Property
NFPA Fire	2		KDB
NFPA Health	2		KDB
Pc	2216.62	kPa	Joback Calculated Property
Inp	[1099.00; 1159.00]
Inp	Outlier 1099.00		NIST
Inp	1159.00		NIST
Inp	1144.00		NIST
Inp	1149.00		NIST
Inp	1144.00		NIST
Inp	1149.00		NIST
Inp	1144.00		NIST
I	[1420.00; 1420.00]
I	1420.00		NIST
I	1420.00		NIST
Tboil	[471.65; 473.00]	K
Tboil	472.20	K	NIST
Tboil	473.00	K	NIST
Tboil	471.65	K	NIST
Tc	679.81	K	Joback Calculated Property
Tfus	259.62	K	Joback Calculated Property
Vc	0.614	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[368.31; 447.14]	J/mol×K	[504.05; 679.81]
Cp,gas	368.31	J/mol×K	504.05	Joback Calculated Property
Cp,gas	382.82	J/mol×K	533.34	Joback Calculated Property
Cp,gas	396.77	J/mol×K	562.64	Joback Calculated Property
Cp,gas	410.17	J/mol×K	591.93	Joback Calculated Property
Cp,gas	423.03	J/mol×K	621.22	Joback Calculated Property
Cp,gas	435.35	J/mol×K	650.52	Joback Calculated Property
Cp,gas	447.14	J/mol×K	679.81	Joback Calculated Property
η	[0.0002109; 0.0046674]	Pa×s	[259.62; 504.05]
η	0.0046674	Pa×s	259.62	Joback Calculated Property
η	0.0019627	Pa×s	300.36	Joback Calculated Property
η	0.0010151	Pa×s	341.10	Joback Calculated Property
η	0.0006043	Pa×s	381.84	Joback Calculated Property
η	0.0003976	Pa×s	422.57	Joback Calculated Property
η	0.0002816	Pa×s	463.31	Joback Calculated Property
η	0.0002109	Pa×s	504.05	Joback Calculated Property
ΔvapH	50.10	kJ/mol	402.50	NIST
ρl	[810.49; 872.25]	kg/m3	[298.15; 363.15]
ρl	872.25	kg/m3	298.15	Liquid-...
ρl	863.51	kg/m3	303.15	Surface...
ρl	859.15	kg/m3	308.15	Surface...
ρl	854.77	kg/m3	313.15	Surface...
ρl	850.39	kg/m3	318.15	Surface...
ρl	846.01	kg/m3	323.15	Surface...
ρl	841.61	kg/m3	328.15	Surface...
ρl	837.20	kg/m3	333.15	Surface...
ρl	832.78	kg/m3	338.15	Surface...
ρl	828.35	kg/m3	343.15	Surface...
ρl	823.91	kg/m3	348.15	Surface...
ρl	819.45	kg/m3	353.15	Surface...
ρl	814.98	kg/m3	358.15	Surface...
ρl	810.49	kg/m3	363.15	Surface...

Datasets

1. Mass density, kg/m3 (1)
2. Thermal conductivity, W/m/K (1)

Mass density, kg/m3

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Mass density, kg/m3 - Liquid
283.46	100.00	880.38
283.46	1000.00	881.05
283.47	3000.00	882.48
283.47	5000.00	883.9
283.48	10000.00	887.37
283.48	15000.00	890.63
283.48	20000.00	893.87
283.48	25000.00	896.91
283.47	30000.00	899.95
283.46	40000.00	905.65
283.46	50000.00	911.06
283.46	60000.00	916.18
283.46	70000.00	921.22
283.45	80000.00	925.84
283.45	90000.00	930.33
283.45	100000.00	934.63
293.46	100.00	871.89
293.44	1000.00	872.61
293.44	3000.00	874.12
293.45	5000.00	875.6
293.45	10000.00	879.24
293.45	15000.00	882.73
293.45	20000.00	886.08
293.45	25000.00	889.32
293.45	30000.00	892.46
293.45	40000.00	898.43
293.46	50000.00	904.07
293.45	60000.00	909.42
293.45	70000.00	914.46
293.45	80000.00	919.33
293.46	90000.00	923.91
293.45	100000.00	928.38
303.41	100.00	862.94
303.38	1000.00	863.7
303.39	3000.00	865.32
303.40	5000.00	866.89
303.40	10000.00	870.7
303.39	15000.00	874.36
303.40	20000.00	877.88
303.40	25000.00	881.31
303.40	30000.00	884.55
303.39	40000.00	890.82
303.40	50000.00	896.67
303.40	60000.00	902.22
303.40	70000.00	907.5
303.40	80000.00	912.5
303.40	90000.00	917.28
303.41	100000.00	921.87
313.34	100.00	854.53
313.34	1000.00	855.28
313.34	3000.00	857.04
313.34	5000.00	858.73
313.34	10000.00	862.77
313.34	15000.00	866.66
313.34	20000.00	870.34
313.34	25000.00	873.92
313.34	30000.00	877.34
313.34	40000.00	883.88
313.34	50000.00	889.98
313.34	60000.00	895.7
313.34	70000.00	901.14
313.34	80000.00	906.27
313.35	90000.00	911.19
313.34	100000.00	915.93
323.15	100.00	845.74
323.16	1000.00	846.56
323.16	3000.00	848.36
323.16	5000.00	850.14
323.16	10000.00	854.42
323.17	15000.00	858.49
323.17	20000.00	862.39
323.16	25000.00	866.13
323.16	30000.00	869.71
323.16	40000.00	876.47
323.15	50000.00	882.8
323.15	60000.00	888.76
323.15	70000.00	894.49
323.15	80000.00	899.83
323.15	90000.00	904.91
323.15	100000.00	909.78
332.99	100.00	836.98
333.00	1000.00	837.85
333.00	3000.00	839.78
333.00	5000.00	841.66
333.00	10000.00	846.16
333.00	15000.00	850.47
333.00	20000.00	854.55
333.00	25000.00	858.45
333.01	30000.00	862.21
333.01	40000.00	869.27
333.01	50000.00	875.85
333.01	60000.00	882.02
333.01	70000.00	888.07
333.01	80000.00	893.58
333.01	90000.00	898.82
333.01	100000.00	903.81
342.95	100.00	828.32
342.96	1000.00	829.27
342.96	3000.00	831.31
342.96	5000.00	833.3
342.96	10000.00	838.06
342.96	15000.00	842.59
342.96	20000.00	846.9
342.97	25000.00	851.0
342.97	30000.00	854.91
342.97	40000.00	862.31
342.97	50000.00	869.15
342.97	60000.00	875.57
342.97	70000.00	881.64
342.97	80000.00	887.28
342.97	90000.00	892.73
342.97	100000.00	897.85
352.78	100.00	819.64
352.79	1000.00	820.65
352.79	3000.00	822.83
352.79	5000.00	824.93
352.79	10000.00	830.0
352.79	15000.00	834.75
352.79	20000.00	839.27
352.79	25000.00	843.56
352.79	30000.00	847.66
352.79	40000.00	855.34
352.79	50000.00	862.46
352.79	60000.00	869.08
352.79	70000.00	875.42
352.80	80000.00	881.29
352.79	90000.00	886.84
352.79	100000.00	892.14
362.64	100.00	810.91
362.64	1000.00	811.97
362.64	3000.00	814.28
362.64	5000.00	816.51
362.64	10000.00	821.85
362.64	15000.00	826.87
362.64	20000.00	831.61
362.64	25000.00	836.09
362.64	30000.00	840.38
362.65	40000.00	848.4
362.64	50000.00	855.78
362.64	60000.00	862.65
362.64	70000.00	869.14
362.64	80000.00	875.25
362.64	90000.00	880.97
362.64	100000.00	886.45
Reference

Thermal conductivity, W/m/K

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Thermal conductivity, W/m/K - Liquid
236.69	20000.00	0.1443
236.98	100.00	0.1389
237.14	10000.00	0.1415
237.23	5000.00	0.1405
237.83	15000.00	0.1430
237.87	100.00	0.1391
237.89	20000.00	0.1444
237.90	15000.00	0.1431
238.15	100.00	0.1390
238.49	20000.00	0.1438
238.60	5000.00	0.1403
238.64	10000.00	0.1417
238.65	15000.00	0.1429
239.43	5000.00	0.1404
239.50	10000.00	0.1416
255.44	100.00	0.1363
255.58	5000.00	0.1382
255.67	20000.00	0.1420
255.73	5000.00	0.1377
255.73	15000.00	0.1409
256.24	20000.00	0.1423
256.27	15000.00	0.1408
256.36	10000.00	0.1399
256.74	20000.00	0.1420
256.94	15000.00	0.1407
257.05	10000.00	0.1397
257.53	5000.00	0.1376
258.31	100.00	0.1361
258.36	100.00	0.1363
258.36	10000.00	0.1390
275.57	100.00	0.1331
275.68	5000.00	0.1354
276.08	15000.00	0.1377
276.34	10000.00	0.1366
276.56	5000.00	0.1343
276.61	15000.00	0.1372
276.71	20000.00	0.1393
276.82	10000.00	0.1361
276.87	20000.00	0.1392
277.62	15000.00	0.1374
277.69	100.00	0.1331
277.71	20000.00	0.1394
278.39	100.00	0.1330
278.48	5000.00	0.1344
278.65	10000.00	0.1366
296.02	20000.00	0.1358
296.14	5000.00	0.1312
296.19	15000.00	0.1344
296.20	100.00	0.1294
296.29	10000.00	0.1332
296.56	15000.00	0.1338
296.63	5000.00	0.1308
296.75	20000.00	0.1359
297.36	15000.00	0.1338
297.51	10000.00	0.1325
297.69	100.00	0.1293
298.13	20000.00	0.1356
298.26	5000.00	0.1309
298.36	15000.00	0.1340
298.41	100.00	0.1290
298.43	10000.00	0.1326
315.33	15000.00	0.1304
315.46	10000.00	0.1284
315.64	20000.00	0.1324
315.70	5000.00	0.1270
315.74	10000.00	0.1281
315.99	5000.00	0.1268
316.23	20000.00	0.1328
316.29	100.00	0.1248
316.91	15000.00	0.1310
317.25	10000.00	0.1284
317.28	100.00	0.1247
317.51	20000.00	0.1322
317.68	5000.00	0.1265
317.76	15000.00	0.1304
318.02	100.00	0.1250
318.11	20000.00	0.1318
336.49	100.00	0.1200
336.93	20000.00	0.1276
337.02	10000.00	0.1237
337.04	100.00	0.1201
337.39	5000.00	0.1223
337.46	10000.00	0.1236
337.82	5000.00	0.1222
337.85	5000.00	0.1219
337.87	15000.00	0.1257
338.66	100.00	0.1198
338.69	15000.00	0.1258
338.84	10000.00	0.1243
338.98	5000.00	0.1216
338.99	10000.00	0.1237
339.05	20000.00	0.1278
339.10	15000.00	0.1260
339.42	20000.00	0.1276
355.36	15000.00	0.1220
355.71	5000.00	0.1179
356.17	15000.00	0.1222
356.18	10000.00	0.1196
356.63	20000.00	0.1243
356.65	5000.00	0.1177
356.69	100.00	0.1148
356.99	100.00	0.1154
357.21	5000.00	0.1178
357.29	100.00	0.1155
357.31	15000.00	0.1219
357.40	20000.00	0.1245
357.48	10000.00	0.1194
357.52	10000.00	0.1197
358.21	20000.00	0.1244
375.68	20000.00	0.1197
375.73	10000.00	0.1158
375.83	100.00	0.1109
375.86	5000.00	0.1142
375.91	5000.00	0.1141
376.09	15000.00	0.1179
376.60	5000.00	0.1140
376.61	100.00	0.1111
376.71	10000.00	0.1162
376.83	10000.00	0.1155
377.29	15000.00	0.1185
377.41	15000.00	0.1178
377.45	20000.00	0.1197
377.52	100.00	0.1110
377.74	15000.00	0.1175
378.14	20000.00	0.1199
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[357.44; 499.75]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.53661e+01
Coefficient B			-4.29457e+03
Coefficient C			-7.26220e+01
Temperature range, min.			357.44
Temperature range, max.			499.75
Pvap	1.33	kPa	357.44	Calculated Property
Pvap	2.95	kPa	373.25	Calculated Property
Pvap	6.02	kPa	389.06	Calculated Property
Pvap	11.48	kPa	404.88	Calculated Property
Pvap	20.65	kPa	420.69	Calculated Property
Pvap	35.30	kPa	436.50	Calculated Property
Pvap	57.71	kPa	452.31	Calculated Property
Pvap	90.70	kPa	468.13	Calculated Property
Pvap	137.69	kPa	483.94	Calculated Property
Pvap	202.67	kPa	499.75	Calculated Property
Pvap	[9.91e-10; 2061.10]	kPa	[180.15; 639.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			9.61783e+01
Coefficient B			-1.03818e+04
Coefficient C			-1.14383e+01
Coefficient D			3.89320e-06
Temperature range, min.			180.15
Temperature range, max.			639.00
Pvap	9.91e-10	kPa	180.15	Calculated Property
Pvap	2.06e-05	kPa	231.13	Calculated Property
Pvap	7.83e-03	kPa	282.12	Calculated Property
Pvap	0.37	kPa	333.10	Calculated Property
Pvap	5.23	kPa	384.08	Calculated Property
Pvap	35.15	kPa	435.07	Calculated Property
Pvap	145.17	kPa	486.05	Calculated Property
Pvap	431.73	kPa	537.03	Calculated Property
Pvap	1022.34	kPa	588.02	Calculated Property
Pvap	2061.10	kPa	639.00	Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, 2-ethylhexyl ester.

Mixtures

• Acetic acid, 2-ethylhexyl ester + Acetic acid + Water
• Carbon dioxide + Acetic acid, 2-ethylhexyl ester

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Phase behavior of binary mixture for the isoalkyl acetate in supercritical carbon dioxide
• Liquid-liquid equilibria of water + acetic acid + 2-ethyl hexyl acetate ternary system
• Surface tension of four oxygenated fuels: experiment and correlation
• Liquid Density of 2 Methoxyethyl Acetate, 2 Ethylhexyl Acetate and Diethyl Succinate at Temperatures from 283.15 K to 363.15 K and Pressures up to 100 MPa
• Thermal Conductivity of Liquid 2-Methoxyethyl Acetate, 2-Ethylhexyl Acetate, and Diethyl Succinate
• Joback Method
• KDB
• 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.