Chemical Properties of Butyl benzoate (CAS 136-60-7)

Butyl benzoate

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InChI
InChI=1S/C11H14O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChI Key
XSIFPSYPOVKYCO-UHFFFAOYSA-N
Formula
C11H14O2
SMILES
CCCCOC(=O)c1ccccc1
Molecular Weight1
178.23
CAS
136-60-7
Other Names
  • Anthrapole AZ
  • Benzoic acid n-butyl ester
  • Benzoic acid, butyl ester
  • Butyl ester of benzoic acid
  • Butylester kyseliny benzoove
  • DAI CARI XBN
  • Hipochem B-3-M
  • Marvanol Carrier BB
  • NSC 8474
  • n-Butyl benzoate
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Physical Properties

Property Value Unit Source
ω 0.5800 KDB
Δf -79.77 kJ/mol Joback Calculated Property
Δfgas -278.64 kJ/mol Joback Calculated Property
Δfus 21.07 kJ/mol Joback Calculated Property
Δvap 51.51 kJ/mol Joback Calculated Property
log10WS -3.48 Aq. Sol...
logPoct/wat 2.643 Crippen Calculated Property
McVol 149.530 ml/mol McGowan Calculated Property
NFPA Fire 1 KDB
NFPA Health 1 KDB
Pc [2400.00; 2600.00] kPa Show Hide
Pc 2600.00 kPa KDB
Pc 2400.00 kPa Critica...
Inp [1324.00; 1389.00]   Show Hide
Inp 1383.13 NIST
Inp 1356.00 NIST
Inp 1352.00 NIST
Inp 1353.00 NIST
Inp 1360.00 NIST
Inp 1386.00 NIST
Inp 1360.00 NIST
Inp 1367.00 NIST
Inp 1373.00 NIST
Inp 1365.00 NIST
Inp 1344.00 NIST
Inp 1352.00 NIST
Inp 1358.00 NIST
Inp 1332.00 NIST
Inp 1351.00 NIST
Inp 1341.00 NIST
Inp Outlier 1389.00 NIST
Inp 1377.00 NIST
Inp 1352.00 NIST
Inp Outlier 1324.00 NIST
Inp 1326.00 NIST
Inp 1348.00 NIST
Inp 1353.00 NIST
Inp 1358.00 NIST
Inp 1346.00 NIST
Inp 1355.00 NIST
Inp 1360.00 NIST
Inp 1361.00 NIST
Inp 1376.00 NIST
Inp 1349.00 NIST
Inp 1362.00 NIST
Inp 1339.00 NIST
Inp 1338.00 NIST
Inp 1344.00 NIST
Inp 1343.00 NIST
Inp 1354.00 NIST
Inp 1354.00 NIST
Inp 1360.00 NIST
Inp Outlier 1389.00 NIST
Inp 1348.00 NIST
Inp 1360.00 NIST
Inp 1341.00 NIST
I [1839.00; 1913.00]   Show Hide
I 1879.00 NIST
I 1901.00 NIST
I 1879.00 NIST
I 1884.00 NIST
I 1913.00 NIST
I 1841.00 NIST
I 1856.00 NIST
I 1847.00 NIST
I 1849.00 NIST
I 1871.00 NIST
I 1840.00 NIST
I 1839.00 NIST
I 1841.00 NIST
I 1882.00 NIST
I 1903.00 NIST
I 1871.00 NIST
I 1841.00 NIST
Tboil [521.50; 523.45] K Show Hide
Tboil 523.00 K KDB
Tboil 522.20 K NIST
Tboil 521.50 ± 0.50 K NIST
Tboil 523.45 ± 0.60 K NIST
Tboil 522.15 ± 1.00 K NIST
Tc 723.00 K KDB
Tfus [250.75; 254.35] K Show Hide
Tfus 251.00 K KDB
Tfus 254.35 K Aq. Sol...
Tfus 250.75 ± 0.30 K NIST
Vc 0.561 m3/kmol KDB
Zc 0.2426390 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [346.39; 421.37] J/mol×K [554.05; 763.32] Show Hide
Cp,gas 346.39 J/mol×K 554.05 Joback Calculated Property
Cp,gas 360.84 J/mol×K 588.93 Joback Calculated Property
Cp,gas 374.48 J/mol×K 623.81 Joback Calculated Property
Cp,gas 387.33 J/mol×K 658.68 Joback Calculated Property
Cp,gas 399.42 J/mol×K 693.56 Joback Calculated Property
Cp,gas 410.76 J/mol×K 728.44 Joback Calculated Property
Cp,gas 421.37 J/mol×K 763.32 Joback Calculated Property
η [0.0002006; 0.0023060] Pa×s [312.31; 554.05] Show Hide
η 0.0023060 Pa×s 312.31 Joback Calculated Property
η 0.0012165 Pa×s 352.60 Joback Calculated Property
η 0.0007317 Pa×s 392.89 Joback Calculated Property
η 0.0004838 Pa×s 433.18 Joback Calculated Property
η 0.0003432 Pa×s 473.47 Joback Calculated Property
η 0.0002569 Pa×s 513.76 Joback Calculated Property
η 0.0002006 Pa×s 554.05 Joback Calculated Property
ΔvapH [54.40; 60.40] kJ/mol [295.50; 424.00] Show Hide
ΔvapH 58.10 kJ/mol 295.50 NIST
ΔvapH 60.40 kJ/mol 418.50 NIST
ΔvapH 54.40 kJ/mol 418.50 NIST
ΔvapH 57.10 kJ/mol 424.00 NIST
ρl 1006.00 kg/m3 293.00 KDB

Correlations

Property Value Unit Temperature (K) Source
Pvap [4.15e-05; 2492.76] kPa [251.65; 724.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A5.83166e+01
Coefficient B-9.10652e+03
Coefficient C-5.84030e+00
Coefficient D1.02964e-06
Temperature range, min.251.65
Temperature range, max.724.00
Pvap 4.15e-05 kPa 251.65 Calculated Property
Pvap 7.28e-03 kPa 304.13 Calculated Property
Pvap 0.24 kPa 356.62 Calculated Property
Pvap 3.02 kPa 409.10 Calculated Property
Pvap 19.67 kPa 461.58 Calculated Property
Pvap 82.84 kPa 514.07 Calculated Property
Pvap 256.86 kPa 566.55 Calculated Property
Pvap 637.76 kPa 619.03 Calculated Property
Pvap 1342.34 kPa 671.52 Calculated Property
Pvap 2492.76 kPa 724.00 Calculated Property

Similar Compounds

1,4-Butanediol, dibenzoate. Dibutyl terephthalate. Benzoic acid, pentyl ester. Dibutyl isophthalate. Benzoic acid, hexyl ester. Benzoic acid, heptyl ester. 4-Cyanobenzoic acid, butyl ester. dodecyl benzoate. Benzoic acid, tridecyl ester. Benzoic acid, undecyl ester. Benzoic acid, hexadecyl ester. Benzoic acid, octadecyl ester. Benzoic acid, eicosyl ester. Benzoic acid, nonadecyl ester. Benzoic acid, tetradecyl ester.

Find more compounds similar to Butyl benzoate.

Sources

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