Chemical Properties of Benzoic acid, hexyl ester (CAS 6789-88-4)

Benzoic acid, hexyl ester

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InChI
InChI=1S/C13H18O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3
InChI Key
UUGLJVMIFJNVFH-UHFFFAOYSA-N
Formula
C13H18O2
SMILES
CCCCCCOC(=O)c1ccccc1
Molecular Weight1
206.28
CAS
6789-88-4
Other Names
  • Benzoic acid n-hexyl ester
  • Hexylester kyseliny benzoove
  • hexyl benzoate
  • n-Hexyl benzoate
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Physical Properties

Property Value Unit Source
Δf -62.93 kJ/mol Joback Calculated Property
Δfgas -319.92 kJ/mol Joback Calculated Property
Δfus 26.25 kJ/mol Joback Calculated Property
Δvap 55.96 kJ/mol Joback Calculated Property
log10WS -3.81 Crippen Calculated Property
logPoct/wat 3.424 Crippen Calculated Property
McVol 177.710 ml/mol McGowan Calculated Property
Pc 1980.00 kPa Critica...
Inp [1540.00; 1599.00]   Show Hide
Inp 1575.95 NIST
Inp Outlier 1595.76 NIST
Inp 1556.00 NIST
Inp 1555.00 NIST
Inp 1557.00 NIST
Inp 1568.00 NIST
Inp 1572.00 NIST
Inp 1558.00 NIST
Inp 1566.00 NIST
Inp 1573.00 NIST
Inp 1549.00 NIST
Inp 1556.00 NIST
Inp 1579.00 NIST
Inp 1579.00 NIST
Inp 1551.00 NIST
Inp 1551.00 NIST
Inp Outlier 1599.00 NIST
Inp 1576.50 NIST
Inp 1574.00 NIST
Inp 1548.30 NIST
Inp 1547.10 NIST
Inp 1557.40 NIST
Inp 1565.30 NIST
Inp 1550.50 NIST
Inp 1556.00 NIST
Inp 1559.28 NIST
Inp 1551.00 NIST
Inp 1565.00 NIST
Inp 1550.00 NIST
Inp 1558.00 NIST
Inp 1565.00 NIST
Inp 1581.00 NIST
Inp 1580.00 NIST
Inp 1585.00 NIST
Inp 1545.00 NIST
Inp 1561.00 NIST
Inp 1576.00 NIST
Inp 1589.00 NIST
Inp 1560.00 NIST
Inp 1576.00 NIST
Inp 1593.00 NIST
Inp 1577.00 NIST
Inp 1540.00 NIST
Inp 1551.90 NIST
Inp 1542.70 NIST
Inp 1552.80 NIST
Inp 1552.20 NIST
Inp 1556.50 NIST
Inp 1549.00 NIST
Inp 1580.00 NIST
Inp 1581.00 NIST
Inp 1579.00 NIST
Inp 1580.00 NIST
Inp 1558.00 NIST
Inp 1551.00 NIST
Inp Outlier 1599.00 NIST
Inp 1557.40 NIST
Inp 1551.00 NIST
I [2028.00; 2107.00]   Show Hide
I 2069.00 NIST
I 2097.00 NIST
I 2093.00 NIST
I 2073.00 NIST
I 2081.00 NIST
I 2107.00 NIST
I 2046.00 NIST
I 2070.00 NIST
I 2033.00 NIST
I 2051.00 NIST
I 2069.00 NIST
I 2056.00 NIST
I Outlier 2028.00 NIST
I 2076.00 NIST
I 2095.00 NIST
I 2095.00 NIST
I 2056.00 NIST
I 2066.00 NIST
I 2095.00 NIST
I 2096.00 NIST
I 2096.00 NIST
I 2074.00 NIST
Tboil 599.81 K Joback Calculated Property
Tc 802.73 K Joback Calculated Property
Tfus 334.85 K Joback Calculated Property
Vc 0.679 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [443.32; 525.42] J/mol×K [599.81; 802.73] Show Hide
Cp,gas 443.32 J/mol×K 599.81 Joback Calculated Property
Cp,gas 459.12 J/mol×K 633.63 Joback Calculated Property
Cp,gas 474.04 J/mol×K 667.45 Joback Calculated Property
Cp,gas 488.11 J/mol×K 701.27 Joback Calculated Property
Cp,gas 501.35 J/mol×K 735.09 Joback Calculated Property
Cp,gas 513.77 J/mol×K 768.91 Joback Calculated Property
Cp,gas 525.42 J/mol×K 802.73 Joback Calculated Property
η [0.0001678; 0.0021584] Pa×s [334.85; 599.81] Show Hide
η 0.0021584 Pa×s 334.85 Joback Calculated Property
η 0.0011004 Pa×s 379.01 Joback Calculated Property
η 0.0006457 Pa×s 423.17 Joback Calculated Property
η 0.0004190 Pa×s 467.33 Joback Calculated Property
η 0.0002930 Pa×s 511.49 Joback Calculated Property
η 0.0002169 Pa×s 555.65 Joback Calculated Property
η 0.0001678 Pa×s 599.81 Joback Calculated Property

Similar Compounds

Benzoic acid, heptyl ester. Benzoic acid, pentadecyl ester. Benzoic acid, tridecyl ester. Benzoic acid, undecyl ester. Benzoic acid, octadecyl ester. Benzoic acid, hexadecyl ester. dodecyl benzoate. Benzoic acid, nonadecyl ester. Benzoic acid, tetradecyl ester. Benzoic acid, octyl ester. Eicosyl benzoate. decyl benzoate. Tetracosyl benzoate. nonyl benzoate. Benzoic acid, heptadecyl ester.

Find more compounds similar to Benzoic acid, hexyl ester.

Sources

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