Chemical Properties of Hexanoic acid (CAS 142-62-1)

Hexanoic acid

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InChI
InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)
InChI Key
FUZZWVXGSFPDMH-UHFFFAOYSA-N
Formula
C6H12O2
SMILES
CCCCCC(=O)O
Molecular Weight1
116.16
CAS
142-62-1
Other Names
  • 1-Hexanoic acid
  • 1-Pentanecarboxylic acid
  • Butylacetic acid
  • CH3(CH2)4COOH
  • Caproic acid
  • Capronic acid
  • Hexacid 698
  • Hexoic acid
  • Kyselina kapronova
  • NSC 8266
  • Pentane-1-carboxylic acid
  • Pentanecarboxylic acid
  • Pentiformic acid
  • Pentylformic acid
  • n-Caproic acid
  • n-Hexanoic acid
  • n-Hexoic acid
  • n-Hexylic acid

Physical Properties

Property Value Unit Source
Δcliquid [-3518.00; -3490.40] kJ/mol Show Hide
Δcliquid -3494.29 ± 0.66 kJ/mol NIST
Δcliquid -3492.40 ± 0.60 kJ/mol NIST
Δcliquid -3490.40 ± 0.54 kJ/mol NIST
Δcliquid -3518.00 kJ/mol NIST
Δcsolid -3522.80 kJ/mol NIST
Δf -266.10 kJ/mol Joback Calculated Property
Δfgas [-515.10; -508.60] kJ/mol Show Hide
Δfgas -511.20 ± 1.50 kJ/mol NIST
Δfgas -508.60 ± 2.30 kJ/mol NIST
Δfgas -511.20 ± 1.50 kJ/mol NIST
Δfgas -513.00 ± 2.00 kJ/mol NIST
Δfgas -515.10 ± 1.10 kJ/mol NIST
Δfgas -512.50 ± 2.10 kJ/mol NIST
Δfgas -515.10 ± 1.10 kJ/mol NIST
Δfliquid [-585.68; -581.80] kJ/mol Show Hide
Δfliquid -581.80 ± 1.10 kJ/mol NIST
Δfliquid -583.58 ± 0.75 kJ/mol NIST
Δfliquid -585.68 ± 0.54 kJ/mol NIST
Δfus 16.98 kJ/mol Joback Calculated Property
Δvap [69.20; 73.20] kJ/mol Show Hide
Δvap 69.20 ± 0.90 kJ/mol NIST
Δvap 71.30 kJ/mol NIST
Δvap 73.20 ± 2.00 kJ/mol NIST
Δvap 73.20 ± 2.00 kJ/mol NIST
Δvap 71.00 ± 1.00 kJ/mol NIST
IE 10.12 eV NIST
log10WS -1.06 Aq. Sol...
logPoct/wat 1.651 Crippen Calculated Property
McVol 102.840 ml/mol McGowan Calculated Property
NFPA Fire 1 KDB
NFPA Health 2 KDB
Pc [3154.44; 3377.00] kPa Show Hide
Pc 3200.00 kPa KDB
Pc 3377.00 ± 40.00 kPa NIST
Pc 3200.00 ± 100.00 kPa NIST
Pc 3154.44 ± 90.00 kPa NIST
Inp [158.10; 1038.00]   Show Hide
Inp 950.00 NIST
Inp 975.00 NIST
Inp 981.00 NIST
Inp 1010.00 NIST
Inp 978.00 NIST
Inp 981.00 NIST
Inp 1019.00 NIST
Inp 990.00 NIST
Inp 1019.00 NIST
Inp 973.00 NIST
Inp 1026.00 NIST
Inp 1008.00 NIST
Inp 1020.00 NIST
Inp 981.00 NIST
Inp 981.00 NIST
Inp 1019.00 NIST
Inp 990.00 NIST
Inp 1036.00 NIST
Inp 993.00 NIST
Inp 1020.00 NIST
Inp 977.00 NIST
Inp 997.00 NIST
Inp 997.00 NIST
Inp 993.00 NIST
Inp 1014.00 NIST
Inp 986.00 NIST
Inp 988.00 NIST
Inp 1008.00 NIST
Inp 951.00 NIST
Inp 981.00 NIST
Inp 956.00 NIST
Inp 988.00 NIST
Inp 1005.51 NIST
Inp 996.00 NIST
Inp 969.00 NIST
Inp 959.00 NIST
Inp 982.00 NIST
Inp 948.00 NIST
Inp 967.00 NIST
Inp 1020.00 NIST
Inp 1006.00 NIST
Inp 984.00 NIST
Inp 962.00 NIST
Inp 989.00 NIST
Inp 977.00 NIST
Inp 990.00 NIST
Inp 983.00 NIST
Inp 1013.00 NIST
Inp 970.00 NIST
Inp 1019.00 NIST
Inp 1019.00 NIST
Inp 992.00 NIST
Inp 992.00 NIST
Inp 999.00 NIST
Inp 952.00 NIST
Inp 995.00 NIST
Inp 996.00 NIST
Inp 982.00 NIST
Inp 974.00 NIST
Inp 974.00 NIST
Inp 987.00 NIST
Inp 982.00 NIST
Inp 971.00 NIST
Inp 961.00 NIST
Inp 1022.00 NIST
Inp 970.00 NIST
Inp 1000.00 NIST
Inp 1001.00 NIST
Inp 1020.00 NIST
Inp 998.00 NIST
Inp 978.00 NIST
Inp 970.00 NIST
Inp 970.00 NIST
Inp 1025.00 NIST
Inp 1020.00 NIST
Inp 1006.00 NIST
Inp 989.00 NIST
Inp 980.00 NIST
Inp 1011.00 NIST
Inp 970.00 NIST
Inp 987.00 NIST
Inp 964.00 NIST
Inp 964.00 NIST
Inp 990.00 NIST
Inp 990.00 NIST
Inp 992.00 NIST
Inp 970.00 NIST
Inp 980.00 NIST
Inp 1009.00 NIST
Inp 966.00 NIST
Inp 971.00 NIST
Inp 980.00 NIST
Inp 1019.00 NIST
Inp 1005.00 NIST
Inp 1005.00 NIST
Inp 1008.00 NIST
Inp 1017.00 NIST
Inp 1017.00 NIST
Inp 966.00 NIST
Inp 1035.00 NIST
Inp 969.00 NIST
Inp 995.00 NIST
Inp 1005.00 NIST
Inp 1005.00 NIST
Inp 975.00 NIST
Inp 1007.00 NIST
Inp 1005.00 NIST
Inp 975.00 NIST
Inp 964.00 NIST
Inp 961.00 NIST
Inp 970.00 NIST
Inp 997.00 NIST
Inp 968.00 NIST
Inp 957.00 NIST
Inp 950.00 NIST
Inp 979.00 NIST
Inp 982.00 NIST
Inp 972.00 NIST
Inp 981.00 NIST
Inp 965.00 NIST
Inp 972.00 NIST
Inp 974.00 NIST
Inp 981.00 NIST
Inp 1013.00 NIST
Inp 1017.00 NIST
Inp 1019.00 NIST
Inp 974.00 NIST
Inp 999.00 NIST
Inp 970.00 NIST
Inp 1029.00 NIST
Inp 1037.00 NIST
Inp 958.00 NIST
Inp 1007.00 NIST
Inp 976.00 NIST
Inp 997.00 NIST
Inp 1038.00 NIST
Inp 1013.00 NIST
Inp 991.00 NIST
Inp 1020.00 NIST
Inp 1003.00 NIST
Inp 1019.00 NIST
Inp 1020.00 NIST
Inp 976.00 NIST
Inp 976.00 NIST
Inp 1000.00 NIST
Inp 1013.00 NIST
Inp 966.00 NIST
Inp 984.00 NIST
Inp 1037.00 NIST
Inp 986.00 NIST
Inp 984.00 NIST
Inp 1020.00 NIST
Inp 970.00 NIST
Inp 1036.00 NIST
Inp 1001.00 NIST
Inp 1020.00 NIST
Inp 1020.00 NIST
Inp 983.00 NIST
Inp 999.00 NIST
Inp 965.00 NIST
Inp 1007.00 NIST
Inp 1018.00 NIST
Inp 981.00 NIST
Inp 1019.00 NIST
Inp 964.00 NIST
Inp 981.00 NIST
Inp 981.00 NIST
Inp 986.00 NIST
Inp 1000.00 NIST
Inp Outlier 158.10 NIST
Inp 1010.00 NIST
Inp 978.00 NIST
Inp 973.00 NIST
Inp 981.00 NIST
Inp 1020.00 NIST
Inp 1014.00 NIST
Inp 969.00 NIST
Inp 977.00 NIST
Inp 1019.00 NIST
Inp 999.00 NIST
Inp 974.00 NIST
Inp 961.00 NIST
Inp 1025.00 NIST
Inp 1011.00 NIST
Inp 990.00 NIST
Inp 1009.00 NIST
Inp 1005.00 NIST
Inp 966.00 NIST
Inp 964.00 NIST
Inp Outlier 158.10 NIST
Inp 950.00 NIST
Inp 968.00 NIST
Inp 972.00 NIST
Inp 1007.00 NIST
Inp 991.00 NIST
Inp 976.00 NIST
Inp 984.00 NIST
Inp 970.00 NIST
Inp 983.00 NIST
Inp 986.00 NIST
I [1797.00; 1889.00]   Show Hide
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I Outlier 1809.00 NIST
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Tboil [468.15; 481.65] K Show Hide
Tboil 478.40 K KDB
Tboil 475.70 K NIST
Tboil 478.20 K NIST
Tboil 477.15 ± 3.00 K NIST
Tboil 478.05 ± 0.50 K NIST
Tboil 478.15 ± 2.00 K NIST
Tboil 476.15 ± 2.00 K NIST
Tboil 476.15 ± 2.00 K NIST
Tboil 478.45 ± 0.50 K NIST
Tboil 478.30 ± 0.50 K NIST
Tboil 478.15 ± 2.00 K NIST
Tboil 477.65 ± 2.00 K NIST
Tboil 478.30 ± 0.70 K NIST
Tboil 476.15 ± 2.00 K NIST
Tboil 474.65 ± 3.00 K NIST
Tboil 476.15 ± 3.00 K NIST
Tboil 478.15 ± 2.00 K NIST
Tboil 481.65 ± 3.00 K NIST
Tboil 478.05 ± 1.00 K NIST
Tboil 479.15 ± 2.00 K NIST
Tboil 478.50 ± 0.20 K NIST
Tboil 477.15 ± 2.00 K NIST
Tboil 478.15 ± 2.00 K NIST
Tboil 477.90 ± 1.50 K NIST
Tboil 475.65 ± 3.00 K NIST
Tboil 473.15 ± 3.00 K NIST
Tboil 472.65 ± 3.00 K NIST
Tboil 476.00 ± 6.00 K NIST
Tboil 478.15 ± 2.00 K NIST
Tboil 478.15 ± 2.00 K NIST
Tboil 478.65 ± 3.00 K NIST
Tboil 478.85 ± 1.50 K NIST
Tboil 475.65 ± 3.00 K NIST
Tboil 477.40 ± 1.50 K NIST
Tboil 477.00 ± 3.00 K NIST
Tboil 477.90 ± 1.50 K NIST
Tboil 472.20 ± 1.50 K NIST
Tboil 477.15 ± 3.00 K NIST
Tboil 481.15 ± 4.00 K NIST
Tboil 477.65 ± 4.00 K NIST
Tboil 476.15 ± 5.00 K NIST
Tboil Outlier 471.15 ± 5.00 K NIST
Tboil Outlier 468.15 ± 5.00 K NIST
Tc [655.10; 669.63] K Show Hide
Tc 662.00 K KDB
Tc 655.10 ± 1.00 K NIST
Tc 663.00 ± 1.00 K NIST
Tc 669.63 ± 3.00 K NIST
Tfus [269.00; 271.40] K Show Hide
Tfus 269.90 K Aq. Sol...
Tfus 270.00 K KDB
Tfus 269.70 ± 0.05 K NIST
Tfus 269.20 ± 0.50 K NIST
Tfus 269.00 ± 1.50 K NIST
Tfus 269.00 ± 4.00 K NIST
Tfus Outlier 271.40 ± 1.50 K NIST
Ttriple 269.71 K KDB
Vc 0.397 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [223.60; 271.93] J/mol×K [482.73; 654.09] Show Hide
Cp,gas 223.60 J/mol×K 482.73 Joback Calculated Property
Cp,gas 232.52 J/mol×K 511.29 Joback Calculated Property
Cp,gas 241.09 J/mol×K 539.85 Joback Calculated Property
Cp,gas 249.31 J/mol×K 568.41 Joback Calculated Property
Cp,gas 257.18 J/mol×K 596.97 Joback Calculated Property
Cp,gas 264.72 J/mol×K 625.53 Joback Calculated Property
Cp,gas 271.93 J/mol×K 654.09 Joback Calculated Property
Cp,liquid 225.10 J/mol×K 298.00 NIST
η [0.0004900; 0.0030700] Pa×s [294.60; 428.30] Show Hide
η 0.0030700 Pa×s 294.60 Density...
η 0.0021500 Pa×s 312.10 Density...
η 0.0015200 Pa×s 332.10 Density...
η 0.0011400 Pa×s 352.10 Density...
η 0.0009400 Pa×s 368.10 Density...
η 0.0007300 Pa×s 388.40 Density...
η 0.0006000 Pa×s 408.30 Density...
η 0.0004900 Pa×s 428.30 Density...
ΔvapH [64.60; 70.90] kJ/mol [271.00; 411.50] Show Hide
ΔvapH 70.90 kJ/mol 271.00 NIST
ΔvapH 68.40 ± 0.90 kJ/mol 312.50 NIST
ΔvapH 64.60 kJ/mol 367.00 NIST
ΔvapH 65.90 kJ/mol 411.00 NIST
ΔvapH 66.60 kJ/mol 411.50 NIST
Pvap [6.55; 97.06] kPa [403.15; 451.43] Show Hide
Pvap 6.55 ± 0.20 kPa 403.15 Vapour-...
Pvap 8.25 ± 0.20 kPa 408.15 Vapour-...
Pvap 8.31 ± 0.20 kPa 408.15 Vapour-...
Pvap 97.06 ± 0.20 kPa 413.15 Vapour-...
Pvap 10.13 ± 0.20 kPa 413.15 Vapour-...
Pvap 9.52 ± 0.03 kPa 413.40 Subatmo...
Pvap 14.56 ± 0.03 kPa 422.88 Subatmo...
Pvap 15.86 ± 0.20 kPa 423.15 Vapour-...
Pvap 15.49 ± 0.20 kPa 423.15 Vapour-...
Pvap 19.59 ± 0.03 kPa 429.92 Subatmo...
Pvap 22.33 ± 0.20 kPa 433.15 Vapour-...
Pvap 24.63 ± 0.03 kPa 435.62 Subatmo...
Pvap 29.64 ± 0.03 kPa 440.03 Subatmo...
Pvap 32.78 ± 0.20 kPa 443.15 Vapour-...
Pvap 34.68 ± 0.03 kPa 444.26 Subatmo...
Pvap 39.72 ± 0.03 kPa 447.88 Subatmo...
Pvap 44.75 ± 0.03 kPa 451.43 Subatmo...
n0 [1.41470; 1.41500]   [293.15; 298.15] Show Hide
n0 1.41500 ± 0.00040 293.15 Vapour-...
n0 1.41470 298.15 Liquid-...
ρl [806.50; 926.00] kg/m3 [293.15; 428.30] Show Hide
ρl 925.38 kg/m3 293.15 Apparen...
ρl 926.00 kg/m3 294.50 Density...
ρl 922.06 kg/m3 298.15 Excess ...
ρl 923.07 kg/m3 298.15 Liquid-...
ρl 921.20 kg/m3 298.15 Apparen...
ρl 923.83 kg/m3 298.15 Liquid-...
ρl 917.02 kg/m3 303.15 Apparen...
ρl 912.60 kg/m3 308.15 Apparen...
ρl 910.50 kg/m3 312.10 Density...
ρl 893.10 kg/m3 332.10 Density...
ρl 875.80 kg/m3 352.10 Density...
ρl 861.70 kg/m3 368.10 Density...
ρl 843.50 kg/m3 388.40 Density...
ρl 825.30 kg/m3 408.30 Density...
ρl 806.50 kg/m3 428.30 Density...
γ [0.03; 0.03] N/m [293.15; 308.15] Show Hide
γ 0.03 N/m 293.15 Apparen...
γ 0.03 N/m 298.15 Apparen...
γ 0.03 N/m 303.15 Apparen...
γ 0.03 N/m 308.15 Apparen...
λ [0.11; 0.14] W/m×K [296.90; 471.20] Show Hide
λ 0.14 W/m×K 296.90 Density...
λ 0.14 W/m×K 325.70 Density...
λ 0.13 W/m×K 347.40 Density...
λ 0.13 W/m×K 374.70 Density...
λ 0.12 W/m×K 398.10 Density...
λ 0.12 W/m×K 422.30 Density...
λ 0.12 W/m×K 445.60 Density...
λ 0.11 W/m×K 471.20 Density...

Similar Compounds

Heptanoic acid. Pentadecanoic acid. Hexacosanoic acid. Tridecanoic acid. n-Hexadecanoic acid. Docosanoic acid. Octadecanoic acid. Dodecanoic acid. Tetradecanoic acid. Eicosanoic acid. n-Decanoic acid. Octanoic acid. Nonanoic acid. Nonadecanoic acid. Heptadecanoic acid.

Find more compounds similar to Hexanoic acid.

Mixtures

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.