Chemical Properties of Hexanoic acid, butyl ester (CAS 626-82-4)

Hexanoic acid, butyl ester

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InChI
InChI=1S/C10H20O2/c1-3-5-7-8-10(11)12-9-6-4-2/h3-9H2,1-2H3
InChI Key
RPRPDTXKGSIXMD-UHFFFAOYSA-N
Formula
C10H20O2
SMILES
CCCCCC(=O)OCCCC
Molecular Weight1
172.26
CAS
626-82-4
Other Names
  • Butyl caproate
  • Butyl ester of hexanoic acid
  • Butyl hexanoate
  • n-Butyl caproate
  • n-Butyl hexanoate
  • n-Butyl n-hexanoate
  • n-Caproic acid n-butyl ester
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Physical Properties

Property Value Unit Source
Δf -200.60 kJ/mol Joback Calculated Property
Δfgas -494.53 kJ/mol Joback Calculated Property
Δfus 24.44 kJ/mol Joback Calculated Property
Δvap 47.01 kJ/mol Joback Calculated Property
log10WS -2.87 Crippen Calculated Property
logPoct/wat 2.910 Crippen Calculated Property
McVol 159.200 ml/mol McGowan Calculated Property
Pc 2200.01 kPa Joback Calculated Property
Inp [1156.00; 1200.00]   Show Hide
Inp 1172.00 NIST
Inp 1173.00 NIST
Inp Outlier 1156.00 NIST
Inp 1173.00 NIST
Inp 1170.00 NIST
Inp 1195.00 NIST
Inp 1176.00 NIST
Inp 1176.00 NIST
Inp 1176.00 NIST
Inp 1187.00 NIST
Inp 1176.00 NIST
Inp 1176.00 NIST
Inp 1181.00 NIST
Inp 1174.00 NIST
Inp 1200.00 NIST
Inp 1186.00 NIST
Inp Outlier 1156.00 NIST
Inp 1190.00 NIST
Inp 1186.00 NIST
Inp 1188.00 NIST
Inp 1188.00 NIST
Inp 1176.00 NIST
Inp 1165.00 NIST
Inp 1176.00 NIST
Inp 1176.00 NIST
Inp 1185.00 NIST
Inp 1175.00 NIST
Inp 1194.00 NIST
Inp 1190.00 NIST
Inp 1188.00 NIST
Inp 1182.00 NIST
Inp 1178.00 NIST
Inp 1190.00 NIST
Inp 1187.00 NIST
Inp 1188.00 NIST
Inp 1189.00 NIST
Inp 1177.00 NIST
Inp 1189.00 NIST
Inp 1194.00 NIST
Inp 1189.00 NIST
Inp 1189.00 NIST
Inp 1190.00 NIST
Inp 1191.00 NIST
Inp 1174.00 NIST
Inp 1173.00 NIST
Inp 1173.00 NIST
Inp 1177.00 NIST
Inp 1173.00 NIST
Inp 1177.00 NIST
Inp Outlier 1156.00 NIST
Inp 1188.00 NIST
Inp 1196.00 NIST
Inp 1200.00 NIST
Inp 1177.00 NIST
Inp 1195.00 NIST
Inp Outlier 1156.00 NIST
Inp 1190.00 NIST
Inp 1177.00 NIST
Inp 1194.00 NIST
Inp 1189.00 NIST
Inp 1177.00 NIST
Inp 1195.00 NIST
Inp 1176.00 NIST
Inp 1190.00 NIST
Inp 1189.00 NIST
Inp 1191.00 NIST
Inp 1173.00 NIST
Inp Outlier 1156.00 NIST
Inp 1174.00 NIST
Inp 1165.00 NIST
Inp 1194.00 NIST
Inp 1172.00 NIST
I [1384.00; 1428.00]   Show Hide
I 1406.00 NIST
I 1388.00 NIST
I 1427.00 NIST
I 1412.00 NIST
I 1403.00 NIST
I 1402.00 NIST
I 1404.00 NIST
I 1395.00 NIST
I 1400.00 NIST
I 1420.00 NIST
I 1413.00 NIST
I 1407.00 NIST
I 1411.00 NIST
I 1392.00 NIST
I 1410.00 NIST
I 1414.00 NIST
I 1416.00 NIST
I 1427.00 NIST
I 1384.00 NIST
I 1409.00 NIST
I 1385.00 NIST
I 1404.00 NIST
I 1399.00 NIST
I 1428.00 NIST
I 1414.00 NIST
I 1402.00 NIST
I 1413.00 NIST
I 1392.00 NIST
I 1403.00 NIST
I 1403.00 NIST
I 1423.00 NIST
I 1423.00 NIST
I 1394.00 NIST
I 1418.00 NIST
I 1423.00 NIST
I 1402.00 NIST
I 1423.00 NIST
I 1427.00 NIST
I 1420.00 NIST
I 1392.00 NIST
I 1394.00 NIST
I 1427.00 NIST
I 1388.00 NIST
I 1395.00 NIST
I 1410.00 NIST
I 1409.00 NIST
I 1414.00 NIST
I 1406.00 NIST
Tboil [477.50; 480.89] K Show Hide
Tboil 480.89 ± 0.30 K NIST
Tboil 477.50 ± 1.00 K NIST
Tc 676.79 K Joback Calculated Property
Tfus [208.90; 223.20] K Show Hide
Tfus 208.90 ± 0.80 K NIST
Tfus 223.20 ± 0.50 K NIST
Vc 0.620 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [368.11; 445.25] J/mol×K [504.49; 676.79] Show Hide
Cp,gas 368.11 J/mol×K 504.49 Joback Calculated Property
Cp,gas 382.26 J/mol×K 533.21 Joback Calculated Property
Cp,gas 395.89 J/mol×K 561.92 Joback Calculated Property
Cp,gas 409.00 J/mol×K 590.64 Joback Calculated Property
Cp,gas 421.59 J/mol×K 619.36 Joback Calculated Property
Cp,gas 433.67 J/mol×K 648.08 Joback Calculated Property
Cp,gas 445.25 J/mol×K 676.79 Joback Calculated Property
η [0.0002230; 0.0032806] Pa×s [274.62; 504.49] Show Hide
η 0.0032806 Pa×s 274.62 Joback Calculated Property
η 0.0015931 Pa×s 312.93 Joback Calculated Property
η 0.0009057 Pa×s 351.24 Joback Calculated Property
η 0.0005753 Pa×s 389.56 Joback Calculated Property
η 0.0003964 Pa×s 427.87 Joback Calculated Property
η 0.0002904 Pa×s 466.18 Joback Calculated Property
η 0.0002230 Pa×s 504.49 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [361.92; 509.74] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.50661e+01
Coefficient B-4.24157e+03
Coefficient C-7.49100e+01
Temperature range, min.361.92
Temperature range, max.509.74
Pvap 1.33 kPa 361.92 Calculated Property
Pvap 2.97 kPa 378.34 Calculated Property
Pvap 6.08 kPa 394.77 Calculated Property
Pvap 11.62 kPa 411.19 Calculated Property
Pvap 20.91 kPa 427.62 Calculated Property
Pvap 35.71 kPa 444.04 Calculated Property
Pvap 58.26 kPa 460.47 Calculated Property
Pvap 91.32 kPa 476.89 Calculated Property
Pvap 138.19 kPa 493.32 Calculated Property
Pvap 202.66 kPa 509.74 Calculated Property

Similar Compounds

butyl-d3 hexanoate-d3. butyl hexanoate-d3. butyl hexanoate-d11. Heptanoic acid, butyl ester. butyl heptanoate-d13. Heptanedioic acid, dibutyl ester. butyl pentacosanoate. Butyl myristate. Tridecanoic acid, butyl ester. butyl hentriacontanoate. butyl octanoate-d15. Butyl caprylate. Butyl behenoate. Pentadecanoic acid, butyl ester. Nonanoic acid, butyl ester.

Find more compounds similar to Hexanoic acid, butyl ester.

Sources

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