Chemical Properties of Butanoic acid, butyl ester (CAS 109-21-7)

Butanoic acid, butyl ester

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InChI
InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3
InChI Key
XUPYJHCZDLZNFP-UHFFFAOYSA-N
Formula
C8H16O2
SMILES
CCCCOC(=O)CCC
Molecular Weight1
144.21
CAS
109-21-7
Other Names
  • 1-Butyl butyrate
  • BUTYL BUTANOATE
  • BUTYL ESTER BUTANOIC ACID
  • Butyl butylate
  • Butyl butyrate
  • Butyl ester of butanoic acid
  • Butyl n-butyrate
  • Butyric acid, butyl ester
  • N-BUTYL BUTYRATE
  • N-BUTYL N-BUTYRATE
  • NSC 8458
  • n-Butyl butanoate
  • n-Butyl n-butanoate
  • n-Butyric acid n-butyl ester
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Physical Properties

Property Value Unit Source
Δcliquid -4844.20 kJ/mol NIST
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 42.56 kJ/mol Joback Calculated Property
log10WS -2.03 Crippen Calculated Property
logPoct/wat 2.130 Crippen Calculated Property
McVol 131.020 ml/mol McGowan Calculated Property
Pc 2657.03 kPa Joback Calculated Property
Inp [940.00; 1009.00]   Show Hide
Inp 979.40 NIST
Inp 991.00 NIST
Inp 982.00 NIST
Inp 985.00 NIST
Inp 978.00 NIST
Inp 978.00 NIST
Inp Outlier 940.00 NIST
Inp 969.00 NIST
Inp 977.00 NIST
Inp 980.00 NIST
Inp 985.00 NIST
Inp 980.00 NIST
Inp 983.00 NIST
Inp 977.00 NIST
Inp 982.00 NIST
Inp 990.00 NIST
Inp 982.00 NIST
Inp 982.00 NIST
Inp 978.00 NIST
Inp 983.00 NIST
Inp 985.00 NIST
Inp 996.00 NIST
Inp 969.00 NIST
Inp 996.00 NIST
Inp 993.00 NIST
Inp 993.00 NIST
Inp 998.00 NIST
Inp 994.00 NIST
Inp 1002.00 NIST
Inp 969.00 NIST
Inp 999.00 NIST
Inp 978.00 NIST
Inp 982.00 NIST
Inp 975.00 NIST
Inp 977.00 NIST
Inp 1001.00 NIST
Inp 998.00 NIST
Inp 990.00 NIST
Inp 994.00 NIST
Inp 994.00 NIST
Inp 996.00 NIST
Inp 985.00 NIST
Inp 970.00 NIST
Inp 1002.00 NIST
Inp 992.00 NIST
Inp 986.00 NIST
Inp 996.00 NIST
Inp 997.00 NIST
Inp 995.00 NIST
Inp 979.00 NIST
Inp 997.00 NIST
Inp Outlier 1009.00 NIST
Inp 975.00 NIST
Inp 977.00 NIST
Inp 975.00 NIST
Inp 975.00 NIST
Inp 975.00 NIST
Inp 975.00 NIST
Inp 975.00 NIST
Inp 977.00 NIST
Inp 978.00 NIST
Inp 979.00 NIST
Inp 979.00 NIST
Inp 977.00 NIST
Inp 977.00 NIST
Inp 987.00 NIST
Inp 966.00 NIST
Inp 994.00 NIST
Inp 995.00 NIST
Inp 1000.00 NIST
Inp 994.00 NIST
Inp 996.00 NIST
Inp 979.00 NIST
Inp 981.00 NIST
Inp 969.00 NIST
Inp 993.00 NIST
Inp 996.00 NIST
Inp 993.00 NIST
Inp 993.00 NIST
Inp 999.00 NIST
Inp 993.00 NIST
Inp 1004.00 NIST
Inp 977.00 NIST
Inp 979.00 NIST
Inp 979.00 NIST
Inp 979.40 NIST
Inp 978.00 NIST
Inp 985.00 NIST
Inp 996.00 NIST
Inp 1002.00 NIST
Inp 975.00 NIST
I [1183.00; 1251.00]   Show Hide
I 1215.00 NIST
I 1230.00 NIST
I Outlier 1251.00 NIST
I 1221.00 NIST
I 1221.00 NIST
I Outlier 1245.00 NIST
I 1232.00 NIST
I 1213.00 NIST
I Outlier 1196.00 NIST
I 1224.00 NIST
I 1207.00 NIST
I 1212.00 NIST
I 1215.00 NIST
I 1201.00 NIST
I 1223.00 NIST
I 1218.00 NIST
I 1231.00 NIST
I 1220.00 NIST
I 1214.00 NIST
I 1240.00 NIST
I Outlier 1183.00 NIST
I 1210.00 NIST
I 1218.00 NIST
I 1218.00 NIST
I 1219.00 NIST
I 1207.00 NIST
I 1221.00 NIST
I 1205.00 NIST
I 1216.00 NIST
I 1243.00 NIST
I 1226.00 NIST
I 1216.00 NIST
I 1207.00 NIST
I 1219.00 NIST
I 1208.00 NIST
I 1221.00 NIST
I 1218.00 NIST
I 1206.00 NIST
I 1206.00 NIST
I 1225.00 NIST
I 1228.00 NIST
I 1228.00 NIST
I 1220.00 NIST
I 1228.00 NIST
I 1228.00 NIST
I 1229.00 NIST
I 1229.00 NIST
I 1229.00 NIST
I 1216.00 NIST
I 1227.00 NIST
I 1223.00 NIST
I 1240.00 NIST
I 1208.00 NIST
I 1225.00 NIST
I 1228.00 NIST
I 1227.00 NIST
I 1215.00 NIST
Tboil [436.75; 439.75] K Show Hide
Tboil 438.28 K Measure...
Tboil 438.09 K Vapor-L...
Tboil 437.70 K NIST
Tboil 437.00 K NIST
Tboil 438.15 ± 2.00 K NIST
Tboil 439.55 ± 1.00 K NIST
Tboil 439.65 ± 1.00 K NIST
Tboil 437.65 ± 1.00 K NIST
Tboil 439.15 ± 1.00 K NIST
Tboil 439.55 ± 0.30 K NIST
Tboil 438.00 ± 2.00 K NIST
Tboil 437.15 ± 1.00 K NIST
Tboil 439.40 ± 1.00 K NIST
Tboil 436.75 ± 1.00 K NIST
Tboil 439.75 ± 1.00 K NIST
Tboil 439.60 ± 0.40 K NIST
Tboil 438.90 ± 1.50 K NIST
Tc 612.10 ± 0.60 K NIST
Tfus 252.08 K Joback Calculated Property
Ttriple [181.58; 181.68] K Show Hide
Ttriple 181.58 ± 0.10 K NIST
Ttriple 181.68 ± 0.04 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 [0.0004860; 0.0009480] Pa×s [293.15; 343.15] Show Hide
η 0.0009480 Pa×s 293.15 Density...
η 0.0008760 Pa×s 298.15 Density...
η 0.0008120 Pa×s 303.15 Density...
η 0.0007550 Pa×s 308.15 Density...
η 0.0007050 Pa×s 313.15 Density...
η 0.0006590 Pa×s 318.15 Density...
η 0.0006180 Pa×s 323.15 Density...
η 0.0005810 Pa×s 328.15 Density...
η 0.0005480 Pa×s 333.15 Density...
η 0.0005170 Pa×s 338.15 Density...
η 0.0004860 Pa×s 343.15 Density...
ΔfusH [14.93; 14.93] kJ/mol [181.68; 181.70] Show Hide
ΔfusH 14.93 kJ/mol 181.68 NIST
ΔfusH 14.93 kJ/mol 181.70 NIST
Pvap [40.28; 164.01] kPa [405.54; 457.47] Show Hide
Pvap 40.28 kPa 405.54 Vapor-L...
Pvap 41.53 kPa 406.59 Vapor-L...
Pvap 42.86 kPa 407.56 Vapor-L...
Pvap 44.16 kPa 408.56 Vapor-L...
Pvap 45.06 kPa 409.28 Vapor-L...
Pvap 46.65 kPa 410.43 Vapor-L...
Pvap 48.06 kPa 411.38 Vapor-L...
Pvap 49.58 kPa 412.43 Vapor-L...
Pvap 50.53 kPa 413.11 Vapor-L...
Pvap 52.27 kPa 414.21 Vapor-L...
Pvap 53.34 kPa 414.92 Vapor-L...
Pvap 54.86 kPa 415.87 Vapor-L...
Pvap 56.21 kPa 416.72 Vapor-L...
Pvap 57.51 kPa 417.51 Vapor-L...
Pvap 58.78 kPa 418.27 Vapor-L...
Pvap 60.01 kPa 418.98 Vapor-L...
Pvap 61.31 kPa 419.74 Vapor-L...
Pvap 62.83 kPa 420.59 Vapor-L...
Pvap 64.02 kPa 421.26 Vapor-L...
Pvap 65.51 kPa 422.07 Vapor-L...
Pvap 66.81 kPa 422.76 Vapor-L...
Pvap 67.91 kPa 423.35 Vapor-L...
Pvap 69.74 kPa 424.29 Vapor-L...
Pvap 70.42 kPa 424.66 Vapor-L...
Pvap 72.31 kPa 425.59 Vapor-L...
Pvap 73.25 kPa 426.07 Vapor-L...
Pvap 74.67 kPa 426.78 Vapor-L...
Pvap 76.02 kPa 427.43 Vapor-L...
Pvap 77.34 kPa 428.05 Vapor-L...
Pvap 78.82 kPa 428.69 Vapor-L...
Pvap 79.99 kPa 429.28 Vapor-L...
Pvap 81.71 kPa 430.02 Vapor-L...
Pvap 82.77 kPa 430.48 Vapor-L...
Pvap 84.03 kPa 431.04 Vapor-L...
Pvap 85.54 kPa 431.70 Vapor-L...
Pvap 86.67 kPa 432.27 Vapor-L...
Pvap 87.95 kPa 432.82 Vapor-L...
Pvap 89.55 kPa 433.42 Vapor-L...
Pvap 90.72 kPa 433.90 Vapor-L...
Pvap 91.87 kPa 434.46 Vapor-L...
Pvap 93.35 kPa 435.06 Vapor-L...
Pvap 94.70 kPa 435.61 Vapor-L...
Pvap 96.15 kPa 436.09 Vapor-L...
Pvap 97.30 kPa 436.56 Vapor-L...
Pvap 98.75 kPa 437.11 Vapor-L...
Pvap 100.18 kPa 437.66 Vapor-L...
Pvap 101.32 kPa 438.09 Vapor-L...
Pvap 101.30 kPa 438.28 Measure...
Pvap 102.63 kPa 438.67 Vapor-L...
Pvap 104.00 kPa 439.18 Vapor-L...
Pvap 105.50 kPa 439.66 Vapor-L...
Pvap 106.67 kPa 440.16 Vapor-L...
Pvap 108.31 kPa 440.68 Vapor-L...
Pvap 109.48 kPa 441.11 Vapor-L...
Pvap 110.68 kPa 441.60 Vapor-L...
Pvap 112.07 kPa 442.01 Vapor-L...
Pvap 113.34 kPa 442.53 Vapor-L...
Pvap 114.71 kPa 442.93 Vapor-L...
Pvap 116.00 kPa 443.44 Vapor-L...
Pvap 117.43 kPa 443.86 Vapor-L...
Pvap 118.65 kPa 444.34 Vapor-L...
Pvap 120.03 kPa 444.78 Vapor-L...
Pvap 121.28 kPa 445.21 Vapor-L...
Pvap 122.76 kPa 445.62 Vapor-L...
Pvap 124.03 kPa 446.04 Vapor-L...
Pvap 125.37 kPa 446.47 Vapor-L...
Pvap 126.64 kPa 446.87 Vapor-L...
Pvap 128.00 kPa 447.33 Vapor-L...
Pvap 129.33 kPa 447.74 Vapor-L...
Pvap 130.73 kPa 448.18 Vapor-L...
Pvap 132.01 kPa 448.54 Vapor-L...
Pvap 133.41 kPa 448.97 Vapor-L...
Pvap 134.68 kPa 449.36 Vapor-L...
Pvap 135.99 kPa 449.75 Vapor-L...
Pvap 137.35 kPa 450.15 Vapor-L...
Pvap 138.69 kPa 450.55 Vapor-L...
Pvap 140.07 kPa 450.94 Vapor-L...
Pvap 141.21 kPa 451.29 Vapor-L...
Pvap 142.69 kPa 451.71 Vapor-L...
Pvap 143.97 kPa 452.07 Vapor-L...
Pvap 145.69 kPa 452.55 Vapor-L...
Pvap 146.84 kPa 452.88 Vapor-L...
Pvap 148.17 kPa 453.25 Vapor-L...
Pvap 149.33 kPa 453.58 Vapor-L...
Pvap 150.73 kPa 453.95 Vapor-L...
Pvap 152.16 kPa 454.34 Vapor-L...
Pvap 153.29 kPa 454.65 Vapor-L...
Pvap 154.65 kPa 455.02 Vapor-L...
Pvap 155.97 kPa 455.37 Vapor-L...
Pvap 157.25 kPa 455.71 Vapor-L...
Pvap 158.69 kPa 456.09 Vapor-L...
Pvap 159.94 kPa 456.42 Vapor-L...
Pvap 161.37 kPa 456.79 Vapor-L...
Pvap 162.68 kPa 457.13 Vapor-L...
Pvap 164.01 kPa 457.47 Vapor-L...
n0 1.40400 298.15 Thermod...

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.67] kPa [327.52; 466.20] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.48960e+01
Coefficient B-3.86487e+03
Coefficient C-6.29560e+01
Temperature range, min.327.52
Temperature range, max.466.20
Pvap 1.33 kPa 327.52 Calculated Property
Pvap 2.98 kPa 342.93 Calculated Property
Pvap 6.12 kPa 358.34 Calculated Property
Pvap 11.71 kPa 373.75 Calculated Property
Pvap 21.07 kPa 389.16 Calculated Property
Pvap 35.96 kPa 404.56 Calculated Property
Pvap 58.59 kPa 419.97 Calculated Property
Pvap 91.70 kPa 435.38 Calculated Property
Pvap 138.49 kPa 450.79 Calculated Property
Pvap 202.67 kPa 466.20 Calculated Property
Pvap [1.59e-07; 2464.08] kPa [181.15; 616.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A8.26165e+01
Coefficient B-8.70435e+03
Coefficient C-9.68492e+00
Coefficient D4.03773e-06
Temperature range, min.181.15
Temperature range, max.616.00
Pvap 1.59e-07 kPa 181.15 Calculated Property
Pvap 4.31e-04 kPa 229.47 Calculated Property
Pvap 0.05 kPa 277.78 Calculated Property
Pvap 1.36 kPa 326.10 Calculated Property
Pvap 12.78 kPa 374.42 Calculated Property
Pvap 65.71 kPa 422.73 Calculated Property
Pvap 226.67 kPa 471.05 Calculated Property
Pvap 595.90 kPa 519.37 Calculated Property
Pvap 1296.05 kPa 567.68 Calculated Property
Pvap 2464.08 kPa 616.00 Calculated Property

Similar Compounds

butyl-d3 butanoate. butyl butanoate-d3. butyl-d3 butanoate-d3. Butanedioic acid, dibutyl ester. Propanoic acid, butyl ester. propyl butanoate-d3. Butanoic acid, propyl ester. Succinic acid, butyl ethyl ester. Pentanedioic acid, dibutyl ester. Butanoic acid, pentyl ester. Glutaric acid, butyl ethyl ester. Pentanoic acid, butyl ester. 1,4-Butanediol, dipropionate. hexyl-d3 butanoate-d3. Butanoic acid, hexyl ester.

Find more compounds similar to Butanoic acid, butyl ester.

Mixtures

Sources

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