Chemical Properties of Benzoic acid, 2-phenylethyl ester (CAS 94-47-3)

Benzoic acid, 2-phenylethyl ester

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InChI
InChI=1S/C15H14O2/c16-15(14-9-5-2-6-10-14)17-12-11-13-7-3-1-4-8-13/h1-10H,11-12H2
InChI Key
OSORMYZMWHVFOZ-UHFFFAOYSA-N
Formula
C15H14O2
SMILES
O=C(OCCc1ccccc1)c1ccccc1
Molecular Weight1
226.27
CAS
94-47-3
Other Names
  • Benzoic acid, phenethyl ester
  • «beta»-Phenylethyl benzoate
  • Benzylcarbinyl benzoate
  • Phenethyl alcohol, benzoate
  • Phenethyl benzoate
  • Phenylethyl benzoate
  • 2-Phenylethyl benzoate
  • «beta»-Phenethyl benzoate
  • 2-Fenylethylester kyseliny benzoove
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Physical Properties

Property Value Unit Source
Δf 66.32 kJ/mol Joback Calculated Property
Δfgas -124.67 kJ/mol Joback Calculated Property
Δfus 25.48 kJ/mol Joback Calculated Property
Δvap 62.69 kJ/mol Joback Calculated Property
log10WS -3.75 Crippen Calculated Property
logPoct/wat 3.086 Crippen Calculated Property
McVol 182.130 ml/mol McGowan Calculated Property
Pc 2629.85 kPa Joback Calculated Property
Inp [1796.00; 1863.00]   Show Hide
Inp Outlier 1796.00 NIST
Inp 1809.00 NIST
Inp 1825.00 NIST
Inp 1825.00 NIST
Inp 1836.00 NIST
Inp 1849.00 NIST
Inp 1863.00 NIST
Inp 1818.00 NIST
Inp 1860.00 NIST
Inp 1859.00 NIST
Inp 1848.00 NIST
Inp 1829.00 NIST
Inp 1815.00 NIST
Inp 1828.00 NIST
Inp 1858.90 NIST
Inp 1844.00 NIST
Inp 1823.00 NIST
Inp 1854.00 NIST
Inp 1841.00 NIST
Inp 1841.00 NIST
Inp 1841.00 NIST
Inp 1858.00 NIST
Inp 1841.00 NIST
Inp 1859.00 NIST
Inp 1841.00 NIST
Inp 1825.00 NIST
I [2621.00; 2682.00]   Show Hide
I 2621.00 NIST
I 2652.00 NIST
I 2652.00 NIST
I 2682.00 NIST
I 2668.00 NIST
I 2654.00 NIST
Tboil 672.25 K Joback Calculated Property
Tc 909.92 K Joback Calculated Property
Tfus 383.81 K Joback Calculated Property
Vc 0.683 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [466.75; 544.01] J/mol×K [672.25; 909.92] Show Hide
Cp,gas 466.75 J/mol×K 672.25 Joback Calculated Property
Cp,gas 482.53 J/mol×K 711.86 Joback Calculated Property
Cp,gas 497.08 J/mol×K 751.47 Joback Calculated Property
Cp,gas 510.44 J/mol×K 791.09 Joback Calculated Property
Cp,gas 522.68 J/mol×K 830.70 Joback Calculated Property
Cp,gas 533.85 J/mol×K 870.31 Joback Calculated Property
Cp,gas 544.01 J/mol×K 909.92 Joback Calculated Property
η [0.0001364; 0.0015219] Pa×s [383.81; 672.25] Show Hide
η 0.0015219 Pa×s 383.81 Joback Calculated Property
η 0.0008139 Pa×s 431.88 Joback Calculated Property
η 0.0004934 Pa×s 479.96 Joback Calculated Property
η 0.0003277 Pa×s 528.03 Joback Calculated Property
η 0.0002330 Pa×s 576.10 Joback Calculated Property
η 0.0001746 Pa×s 624.18 Joback Calculated Property
η 0.0001364 Pa×s 672.25 Joback Calculated Property

Similar Compounds

Isophthalic acid, ethyl phenylethyl ester. 4-Chlorobenzoic acid, 2-phenylethyl ester. 2-Phenylethyl 3-chlorobenzoate. Terephthalic acid, ethyl 4-fluorophenethyl ester. Isophthalic acid, phenylethyl propyl ester. 2-Chlorobenzoic acid, 2-phenylethyl ester. Isophthalic acid, isobutyl phenylethyl ester. 4-Nitrobenzoic acid, 2-phenylethyl ester. Terephthalic acid, 2-bromophenethyl ethyl ester. Phthalic acid, di(2-(4-bromophenyl)ethyl) ester. Terephthalic acid, 4-fluorophenethyl propyl ester. Phthalic acid, di(2-(4-chlorophenyl)ethyl) ester. Terephthalic acid, di(2-fluorophenethyl) ester. Isonicotinic acid, 2-phenylethyl ester. Isophthalic acid, butyl phenylethyl ester.

Find more compounds similar to Benzoic acid, 2-phenylethyl ester.

Sources

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