Chemical Properties of Acetic acid, hexyl ester (CAS 142-92-7)

Acetic acid, hexyl ester

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InChI
InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3
InChI Key
AOGQPLXWSUTHQB-UHFFFAOYSA-N
Formula
C8H16O2
SMILES
CCCCCCOC(C)=O
Molecular Weight1
144.21
CAS
142-92-7
Other Names
  • 1-HEXYL ACETATE
  • Acetic acid n-hexyl ester
  • FEMA No. 2565
  • Hexyl acetate
  • Hexyl alcohol, acetate
  • Hexyl ester of acetic acid
  • Hexyl ethanoate
  • Hexylester kyseliny octove
  • N-HEXYL ACETATE
  • N-HEXYL ETHANOATE
  • NSC 7323
  • ethanoic acid, hexyl ester
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Physical Properties

Property Value Unit Source
Δf -217.44 kJ/mol Joback Calculated Property
Δfgas -453.25 kJ/mol Joback Calculated Property
Δfus 19.26 kJ/mol Joback Calculated Property
Δvap [51.90; 52.10] kJ/mol Show Hide
Δvap 51.90 ± 0.30 kJ/mol NIST
Δvap 52.10 kJ/mol NIST
log10WS -2.46 Aq. Sol...
logPoct/wat 2.130 Crippen Calculated Property
McVol 131.020 ml/mol McGowan Calculated Property
NFPA Fire 2 KDB
NFPA Health 1 KDB
Pc 2657.03 kPa Joback Calculated Property
Inp [979.20; 1025.00]   Show Hide
Inp 996.50 NIST
Inp 988.13 NIST
Inp 1010.21 NIST
Inp Outlier 979.20 NIST
Inp 984.60 NIST
Inp 993.00 NIST
Inp 993.10 NIST
Inp 1010.90 NIST
Inp 1009.80 NIST
Inp 1008.70 NIST
Inp 1008.00 NIST
Inp 1008.00 NIST
Inp 993.00 NIST
Inp 1000.00 NIST
Inp 1006.00 NIST
Inp 990.60 NIST
Inp 991.10 NIST
Inp 988.00 NIST
Inp 988.00 NIST
Inp 1002.00 NIST
Inp 999.00 NIST
Inp 1010.00 NIST
Inp 1004.00 NIST
Inp 1006.00 NIST
Inp 995.00 NIST
Inp 1000.00 NIST
Inp 995.00 NIST
Inp 999.00 NIST
Inp 1000.00 NIST
Inp 1002.00 NIST
Inp 1006.00 NIST
Inp 1007.00 NIST
Inp 992.00 NIST
Inp 997.00 NIST
Inp 997.00 NIST
Inp Outlier 1024.00 NIST
Inp 1004.00 NIST
Inp 1006.00 NIST
Inp 988.00 NIST
Inp Outlier 1025.00 NIST
Inp 1014.00 NIST
Inp 990.00 NIST
Inp 1008.00 NIST
Inp 1011.00 NIST
Inp 1008.00 NIST
Inp 1008.00 NIST
Inp 1006.00 NIST
Inp 1014.00 NIST
Inp 987.00 NIST
Inp 1010.00 NIST
Inp 1011.00 NIST
Inp 1000.00 NIST
Inp 989.00 NIST
Inp 993.00 NIST
Inp 993.00 NIST
Inp 1013.00 NIST
Inp 997.00 NIST
Inp 1015.00 NIST
Inp 1000.00 NIST
Inp 1002.00 NIST
Inp 1010.00 NIST
Inp 991.00 NIST
Inp 993.00 NIST
Inp 1018.00 NIST
Inp 990.00 NIST
Inp 996.00 NIST
Inp 1018.00 NIST
Inp 993.00 NIST
Inp 1007.00 NIST
Inp 1007.00 NIST
Inp 1007.00 NIST
Inp 1007.00 NIST
Inp 1019.00 NIST
Inp 1014.00 NIST
Inp 1008.00 NIST
Inp 1022.00 NIST
Inp 999.00 NIST
Inp 1005.00 NIST
Inp 1011.00 NIST
Inp 1015.00 NIST
Inp 1011.00 NIST
Inp 1011.00 NIST
Inp 1008.00 NIST
Inp 1013.00 NIST
Inp 1012.00 NIST
Inp 1004.00 NIST
Inp 996.00 NIST
Inp 1016.00 NIST
Inp 1007.00 NIST
Inp 1011.00 NIST
Inp 1013.00 NIST
Inp 1014.00 NIST
Inp 1017.00 NIST
Inp 1016.00 NIST
Inp 991.00 NIST
Inp 1014.00 NIST
Inp 1014.00 NIST
Inp Outlier 983.00 NIST
Inp 1015.00 NIST
Inp 997.00 NIST
Inp 1019.00 NIST
Inp 993.00 NIST
Inp 1015.00 NIST
Inp 1017.00 NIST
Inp 1014.00 NIST
Inp 992.00 NIST
Inp 1008.00 NIST
Inp 1008.00 NIST
Inp 995.00 NIST
Inp 1015.00 NIST
Inp 1009.00 NIST
Inp 988.00 NIST
Inp 1009.00 NIST
Inp 1020.00 NIST
Inp 999.00 NIST
Inp 1015.00 NIST
Inp 1012.00 NIST
Inp 1014.00 NIST
Inp 986.00 NIST
Inp 997.00 NIST
Inp 999.00 NIST
Inp 1007.00 NIST
Inp 991.00 NIST
Inp 1017.00 NIST
Inp 1002.00 NIST
Inp 1008.00 NIST
Inp 1009.00 NIST
Inp 1007.00 NIST
Inp 994.00 NIST
Inp 1005.00 NIST
Inp 1012.00 NIST
Inp 1010.00 NIST
Inp 1000.00 NIST
Inp 992.00 NIST
Inp 995.00 NIST
Inp 991.00 NIST
Inp 995.00 NIST
Inp 991.00 NIST
Inp 993.00 NIST
Inp 1012.00 NIST
Inp 992.00 NIST
Inp 989.00 NIST
Inp 992.00 NIST
Inp 994.00 NIST
Inp 988.00 NIST
Inp 990.00 NIST
Inp 1002.00 NIST
Inp 997.00 NIST
Inp 997.00 NIST
Inp 995.00 NIST
Inp 997.00 NIST
Inp 996.00 NIST
Inp 998.00 NIST
Inp 1007.00 NIST
Inp 1016.00 NIST
Inp 997.00 NIST
Inp 996.00 NIST
Inp 1015.00 NIST
Inp 1018.00 NIST
Inp 997.00 NIST
Inp 1009.00 NIST
Inp 1015.00 NIST
Inp 1022.00 NIST
Inp 1013.00 NIST
Inp 1007.00 NIST
Inp 988.00 NIST
Inp 1003.00 NIST
Inp 1006.00 NIST
Inp 1009.00 NIST
Inp 1013.00 NIST
Inp 1015.00 NIST
Inp 990.00 NIST
Inp 1011.00 NIST
Inp 1012.00 NIST
Inp 1010.00 NIST
Inp Outlier 1024.00 NIST
Inp 1010.00 NIST
Inp 1012.00 NIST
Inp 997.00 NIST
Inp 988.00 NIST
Inp 1009.00 NIST
Inp 1012.00 NIST
Inp 1008.00 NIST
Inp 1012.00 NIST
Inp 1011.00 NIST
Inp 992.00 NIST
Inp 1008.00 NIST
Inp 1008.00 NIST
Inp 1008.00 NIST
Inp 1008.00 NIST
Inp 995.00 NIST
Inp 1015.00 NIST
Inp 1014.00 NIST
Inp 1008.00 NIST
Inp 1012.00 NIST
Inp 1015.00 NIST
Inp 1008.00 NIST
Inp 1010.00 NIST
Inp 993.00 NIST
Inp 996.00 NIST
Inp 992.00 NIST
Inp 1003.00 NIST
Inp 995.00 NIST
Inp 997.00 NIST
Inp 992.00 NIST
Inp 995.00 NIST
Inp 995.00 NIST
Inp 1012.00 NIST
Inp 1012.00 NIST
Inp 994.00 NIST
Inp 1000.00 NIST
Inp 990.00 NIST
Inp 1007.00 NIST
Inp 1018.00 NIST
Inp 1013.00 NIST
Inp 1009.00 NIST
Inp 1012.00 NIST
Inp 997.00 NIST
Inp 1008.00 NIST
Inp 993.00 NIST
Inp 996.50 NIST
Inp 990.60 NIST
Inp 999.00 NIST
I [1235.00; 1311.00]   Show Hide
I 1277.00 NIST
I 1255.00 NIST
I 1286.00 NIST
I 1295.00 NIST
I 1277.00 NIST
I Outlier 1299.00 NIST
I Outlier 1301.00 NIST
I 1262.00 NIST
I 1268.00 NIST
I 1276.00 NIST
I 1276.00 NIST
I 1276.00 NIST
I 1274.00 NIST
I 1276.00 NIST
I 1296.00 NIST
I 1278.00 NIST
I 1280.00 NIST
I Outlier 1305.00 NIST
I 1270.00 NIST
I 1270.00 NIST
I 1269.00 NIST
I 1272.00 NIST
I 1266.00 NIST
I 1279.00 NIST
I 1280.00 NIST
I 1275.00 NIST
I 1269.00 NIST
I 1275.00 NIST
I 1279.00 NIST
I 1265.00 NIST
I 1275.00 NIST
I 1268.00 NIST
I 1254.00 NIST
I 1293.00 NIST
I Outlier 1311.00 NIST
I 1271.00 NIST
I 1282.00 NIST
I 1277.00 NIST
I 1265.00 NIST
I 1270.00 NIST
I 1261.00 NIST
I 1267.00 NIST
I 1251.00 NIST
I 1264.00 NIST
I 1265.00 NIST
I 1264.00 NIST
I 1267.00 NIST
I 1272.00 NIST
I 1275.00 NIST
I 1295.00 NIST
I 1295.00 NIST
I 1295.00 NIST
I 1265.00 NIST
I 1267.00 NIST
I Outlier 1248.00 NIST
I 1257.00 NIST
I 1264.00 NIST
I 1269.00 NIST
I 1272.00 NIST
I Outlier 1308.00 NIST
I 1285.00 NIST
I 1279.00 NIST
I 1251.00 NIST
I 1258.00 NIST
I 1258.00 NIST
I 1286.00 NIST
I 1275.00 NIST
I 1263.00 NIST
I 1251.00 NIST
I 1275.00 NIST
I 1268.00 NIST
I Outlier 1307.00 NIST
I 1276.00 NIST
I 1282.00 NIST
I 1280.00 NIST
I 1269.00 NIST
I 1272.00 NIST
I 1277.00 NIST
I 1270.00 NIST
I 1270.00 NIST
I 1257.00 NIST
I 1275.00 NIST
I 1282.00 NIST
I 1274.00 NIST
I 1254.00 NIST
I 1254.00 NIST
I 1270.00 NIST
I 1274.00 NIST
I 1263.00 NIST
I 1276.00 NIST
I 1291.00 NIST
I Outlier 1307.00 NIST
I 1274.00 NIST
I 1259.00 NIST
I 1278.00 NIST
I 1271.00 NIST
I 1274.00 NIST
I 1269.00 NIST
I 1271.00 NIST
I 1272.00 NIST
I Outlier 1235.00 NIST
I 1289.00 NIST
I 1290.00 NIST
I 1268.00 NIST
I 1262.00 NIST
I 1267.00 NIST
I 1273.00 NIST
I 1271.00 NIST
I 1267.00 NIST
I 1280.00 NIST
I 1265.00 NIST
I 1279.00 NIST
I 1277.00 NIST
I 1270.00 NIST
I Outlier 1307.00 NIST
I 1270.00 NIST
I 1290.00 NIST
I 1264.00 NIST
I 1265.00 NIST
I 1264.00 NIST
I 1265.00 NIST
I 1272.00 NIST
I 1272.00 NIST
I 1264.00 NIST
I 1265.00 NIST
I 1264.00 NIST
I 1265.00 NIST
I 1275.00 NIST
I 1272.00 NIST
I 1281.00 NIST
I 1271.00 NIST
I 1276.00 NIST
I 1266.00 NIST
I 1276.00 NIST
I 1281.00 NIST
I 1283.00 NIST
I 1274.00 NIST
I 1279.00 NIST
I 1292.00 NIST
I 1259.00 NIST
I 1259.00 NIST
I 1278.00 NIST
I 1265.00 NIST
I 1287.00 NIST
I 1269.00 NIST
I 1271.00 NIST
I 1283.00 NIST
I 1287.00 NIST
I 1283.00 NIST
I 1279.00 NIST
I Outlier 1308.00 NIST
I 1258.00 NIST
I 1268.00 NIST
I 1276.00 NIST
I 1267.00 NIST
I 1281.00 NIST
I 1278.00 NIST
I 1283.00 NIST
I Outlier 1303.00 NIST
I 1267.00 NIST
I 1273.00 NIST
I 1272.00 NIST
I 1275.00 NIST
I 1282.00 NIST
I 1283.00 NIST
I 1275.00 NIST
I 1260.00 NIST
I 1283.00 NIST
I 1265.00 NIST
I 1269.00 NIST
I 1278.00 NIST
I 1294.00 NIST
I 1283.00 NIST
I 1264.00 NIST
I 1268.00 NIST
I 1283.00 NIST
I 1266.00 NIST
I 1269.00 NIST
I 1283.00 NIST
I 1282.00 NIST
I 1281.00 NIST
I 1270.00 NIST
I 1270.00 NIST
I 1264.00 NIST
I 1262.00 NIST
I 1274.00 NIST
I Outlier 1305.00 NIST
I 1266.00 NIST
I 1279.00 NIST
I 1275.00 NIST
I 1265.00 NIST
I 1287.00 NIST
I 1268.00 NIST
I 1283.00 NIST
I 1269.00 NIST
I 1270.00 NIST
Tboil [429.15; 464.00] K Show Hide
Tboil 444.63 K KDB
Tboil 442.20 K NIST
Tboil 442.00 K NIST
Tboil Outlier 464.00 ± 2.00 K NIST
Tboil 441.00 ± 4.00 K NIST
Tboil 441.15 ± 1.00 K NIST
Tboil 443.65 ± 1.00 K NIST
Tboil 444.63 ± 0.30 K NIST
Tboil 429.15 ± 3.00 K NIST
Tboil 442.40 ± 1.50 K NIST
Tc 633.80 K Joback Calculated Property
Tfus [192.30; 212.25] K Show Hide
Tfus 212.25 K KDB
Tfus 192.85 K Aq. Sol...
Tfus 212.10 ± 0.05 K NIST
Tfus 192.30 ± 0.50 K NIST
Vc 0.507 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [279.70; 346.77] J/mol×K [458.73; 633.80] Show Hide
Cp,gas 279.70 J/mol×K 458.73 Joback Calculated Property
Cp,gas 291.94 J/mol×K 487.91 Joback Calculated Property
Cp,gas 303.75 J/mol×K 517.09 Joback Calculated Property
Cp,gas 315.14 J/mol×K 546.26 Joback Calculated Property
Cp,gas 326.10 J/mol×K 575.44 Joback Calculated Property
Cp,gas 336.64 J/mol×K 604.62 Joback Calculated Property
Cp,gas 346.77 J/mol×K 633.80 Joback Calculated Property
η [0.0005790; 0.0011180] Pa×s [293.15; 343.15] Show Hide
η 0.0011180 Pa×s 293.15 Density...
η 0.0010360 Pa×s 298.15 Density...
η 0.0009620 Pa×s 303.15 Density...
η 0.0008950 Pa×s 308.15 Density...
η 0.0008360 Pa×s 313.15 Density...
η 0.0007820 Pa×s 318.15 Density...
η 0.0007330 Pa×s 323.15 Density...
η 0.0006890 Pa×s 328.15 Density...
η 0.0006490 Pa×s 333.15 Density...
η 0.0006120 Pa×s 338.15 Density...
η 0.0005790 Pa×s 343.15 Density...
ΔfusH [19.83; 19.83] kJ/mol [212.10; 212.10] Show Hide
ΔfusH 19.83 kJ/mol 212.10 NIST
ΔfusH 19.83 kJ/mol 212.10 NIST
ΔvapH [46.20; 50.90] kJ/mol [342.50; 418.50] Show Hide
ΔvapH 48.90 kJ/mol 342.50 NIST
ΔvapH 50.90 kJ/mol 373.50 NIST
ΔvapH 46.20 kJ/mol 418.50 NIST
Pvap [0.03; 90.00] kPa [274.50; 439.98] Show Hide
Pvap 0.03 kPa 274.50 Vapour ...
Pvap 0.03 kPa 277.70 Vapour ...
Pvap 0.04 kPa 280.80 Vapour ...
Pvap 0.05 kPa 283.80 Vapour ...
Pvap 0.07 kPa 286.90 Vapour ...
Pvap 0.08 kPa 289.90 Vapour ...
Pvap 0.10 kPa 291.90 Vapour ...
Pvap 0.12 kPa 294.00 Vapour ...
Pvap 0.15 kPa 297.00 Vapour ...
Pvap 0.18 kPa 300.00 Vapour ...
Pvap 0.23 kPa 303.10 Vapour ...
Pvap 0.27 kPa 306.10 Vapour ...
Pvap 0.33 kPa 309.10 Vapour ...
Pvap 25.00 kPa 397.97 Phase E...
Pvap 30.00 kPa 403.36 Phase E...
Pvap 35.00 kPa 408.02 Phase E...
Pvap 40.00 kPa 412.14 Phase E...
Pvap 45.00 kPa 416.02 Phase E...
Pvap 50.00 kPa 419.47 Phase E...
Pvap 55.00 kPa 422.59 Phase E...
Pvap 60.00 kPa 425.57 Phase E...
Pvap 65.00 kPa 428.26 Phase E...
Pvap 70.00 kPa 430.93 Phase E...
Pvap 75.00 kPa 433.38 Phase E...
Pvap 80.00 kPa 435.68 Phase E...
Pvap 85.00 kPa 437.92 Phase E...
Pvap 90.00 kPa 439.98 Phase E...
n0 1.40960 293.15 Liquid-...
ρl [855.00; 868.52] kg/m3 [298.15; 313.15] Show Hide
ρl 868.52 kg/m3 298.15 Experim...
ρl 868.30 kg/m3 298.15 Densiti...
ρl 868.52 kg/m3 298.15 Surface...
ρl 863.90 kg/m3 303.15 Densiti...
ρl 859.80 kg/m3 308.15 Densiti...
ρl 855.00 kg/m3 313.15 Densiti...

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [334.82; 468.91] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.54294e+01
Coefficient B-4.08917e+03
Coefficient C-6.47630e+01
Temperature range, min.334.82
Temperature range, max.468.91
Pvap 1.33 kPa 334.82 Calculated Property
Pvap 2.94 kPa 349.72 Calculated Property
Pvap 6.00 kPa 364.62 Calculated Property
Pvap 11.45 kPa 379.52 Calculated Property
Pvap 20.59 kPa 394.42 Calculated Property
Pvap 35.21 kPa 409.31 Calculated Property
Pvap 57.59 kPa 424.21 Calculated Property
Pvap 90.56 kPa 439.11 Calculated Property
Pvap 137.57 kPa 454.01 Calculated Property
Pvap 202.64 kPa 468.91 Calculated Property
Pvap [8.33e-07; 2452.89] kPa [192.25; 618.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A8.03443e+01
Coefficient B-8.74286e+03
Coefficient C-9.31977e+00
Coefficient D3.93049e-06
Temperature range, min.192.25
Temperature range, max.618.00
Pvap 8.33e-07 kPa 192.25 Calculated Property
Pvap 9.23e-04 kPa 239.56 Calculated Property
Pvap 0.08 kPa 286.86 Calculated Property
Pvap 1.58 kPa 334.17 Calculated Property
Pvap 13.47 kPa 381.47 Calculated Property
Pvap 66.03 kPa 428.78 Calculated Property
Pvap 223.43 kPa 476.08 Calculated Property
Pvap 585.15 kPa 523.39 Calculated Property
Pvap 1278.59 kPa 570.69 Calculated Property
Pvap 2452.89 kPa 618.00 Calculated Property

Similar Compounds

hexyl-d3 acetate. Acetic acid, heptyl ester. Acetic acid, octyl ester. nonacosyl acetate. Lauryl acetate. Eicosanyl acetate. 1-Docosanol, acetate. Acetic acid n-octadecyl ester. Tridecyl acetate. Acetic acid, decyl ester. Acetic acid, nonyl ester. 1-Undecanol, acetate. Octacosyl acetate. tetradecyl acetate. Tetracosyl acetate.

Find more compounds similar to Acetic acid, hexyl ester.

Mixtures

Sources

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.