Chemical Properties of Benzoic acid, octyl ester (CAS 94-50-8)

Benzoic acid, octyl ester

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InChI
InChI=1S/C15H22O2/c1-2-3-4-5-6-10-13-17-15(16)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3
InChI Key
VECVSKFWRQYTAL-UHFFFAOYSA-N
Formula
C15H22O2
SMILES
CCCCCCCCOC(=O)c1ccccc1
Molecular Weight1
234.33
CAS
94-50-8
Other Names
  • 1-octyl benzoate
  • n-Octyl benzoate
  • octyl benzoate
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Physical Properties

Property Value Unit Source
Δf -46.09 kJ/mol Joback Calculated Property
Δfgas -361.20 kJ/mol Joback Calculated Property
Δfus 31.43 kJ/mol Joback Calculated Property
Δvap 60.42 kJ/mol Joback Calculated Property
log10WS -4.64 Crippen Calculated Property
logPoct/wat 4.204 Crippen Calculated Property
McVol 205.890 ml/mol McGowan Calculated Property
Pc 1921.98 kPa Joback Calculated Property
Inp [1745.00; 1792.23]   Show Hide
Inp 1745.00 NIST
Inp 1757.00 NIST
Inp 1778.79 NIST
Inp Outlier 1792.23 NIST
Inp 1764.00 NIST
Inp 1755.00 NIST
Inp 1758.00 NIST
Inp 1762.00 NIST
Inp 1774.00 NIST
Inp 1777.00 NIST
Inp 1756.00 NIST
Inp 1764.00 NIST
Inp 1772.00 NIST
Inp 1745.00 NIST
Inp 1755.00 NIST
Inp 1757.00 NIST
Inp 1772.00 NIST
Inp 1756.00 NIST
Inp 1766.00 NIST
Inp 1745.00 NIST
Inp 1778.79 NIST
Inp 1762.00 NIST
Inp 1772.00 NIST
I [2249.00; 2304.00]   Show Hide
I 2287.00 NIST
I 2287.00 NIST
I 2287.00 NIST
I 2270.00 NIST
I 2298.00 NIST
I 2300.00 NIST
I 2273.00 NIST
I 2287.00 NIST
I 2304.00 NIST
I 2258.00 NIST
I 2284.00 NIST
I 2249.00 NIST
I 2266.00 NIST
I 2258.00 NIST
Tboil 532.55 ± 1.00 K NIST
Tc 843.08 K Joback Calculated Property
Tfus 357.39 K Joback Calculated Property
Vc 0.791 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [546.39; 633.62] J/mol×K [645.57; 843.08] Show Hide
Cp,gas 546.39 J/mol×K 645.57 Joback Calculated Property
Cp,gas 563.17 J/mol×K 678.49 Joback Calculated Property
Cp,gas 579.02 J/mol×K 711.41 Joback Calculated Property
Cp,gas 593.96 J/mol×K 744.32 Joback Calculated Property
Cp,gas 608.02 J/mol×K 777.24 Joback Calculated Property
Cp,gas 621.23 J/mol×K 810.16 Joback Calculated Property
Cp,gas 633.62 J/mol×K 843.08 Joback Calculated Property
η [0.0001364; 0.0019370] Pa×s [357.39; 645.57] Show Hide
η 0.0019370 Pa×s 357.39 Joback Calculated Property
η 0.0009578 Pa×s 405.42 Joback Calculated Property
η 0.0005498 Pa×s 453.45 Joback Calculated Property
η 0.0003510 Pa×s 501.48 Joback Calculated Property
η 0.0002424 Pa×s 549.51 Joback Calculated Property
η 0.0001776 Pa×s 597.54 Joback Calculated Property
η 0.0001364 Pa×s 645.57 Joback Calculated Property

Similar Compounds

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

Find more compounds similar to Benzoic acid, octyl 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.