Chemical Properties of Benzeneacetic acid, ethyl ester (CAS 101-97-3)

Benzeneacetic acid, ethyl ester

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InChI
InChI=1S/C10H12O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChI Key
DULCUDSUACXJJC-UHFFFAOYSA-N
Formula
C10H12O2
SMILES
CCOC(=O)Cc1ccccc1
Molecular Weight1
164.20
CAS
101-97-3
Other Names
  • 2-Phenylacetic acid ethyl ester
  • Acetic acid, phenyl-, ethyl ester
  • ETHYL ALPHA-TOLUATE
  • ETHYL BENZENEACETATE
  • ETHYL PHENYLETHANOATE
  • Ethyl 2-phenylacetate
  • Ethyl 2-phenylethanoate
  • Ethyl phenacetate
  • Ethyl phenylacetate
  • Ethyl «alpha»-toluate
  • Ethyl «alpha»-toluate
  • NSC 406259
  • Phenylacetic acid, ethyl ester
  • ethanoic acid, phenyl-, ethyl ester
  • «alpha»-Toluic acid, ethyl ester
  • «alpha»-Toluic acid, ethyl ester
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Physical Properties

Property Value Unit Source
Δcliquid -5243.90 ± 4.20 kJ/mol NIST
Δf -88.19 kJ/mol Joback Calculated Property
Δfgas -258.00 kJ/mol Joback Calculated Property
Δfus 18.48 kJ/mol Joback Calculated Property
Δvap [60.70; 64.50] kJ/mol Show Hide
Δvap 60.70 kJ/mol NIST
Δvap 64.50 ± 0.40 kJ/mol NIST
log10WS -1.97 Crippen Calculated Property
logPoct/wat 1.792 Crippen Calculated Property
McVol 135.440 ml/mol McGowan Calculated Property
Pc 3082.99 kPa Joback Calculated Property
Inp [1193.00; 1260.00]   Show Hide
Inp 1207.77 NIST
Inp 1230.68 NIST
Inp 1211.83 NIST
Inp 1213.64 NIST
Inp 1215.50 NIST
Inp 1217.58 NIST
Inp 1219.66 NIST
Inp 1221.84 NIST
Inp 1224.16 NIST
Inp 1226.48 NIST
Inp 1205.65 NIST
Inp 1207.01 NIST
Inp 1208.64 NIST
Inp 1210.19 NIST
Inp 1239.00 NIST
Inp 1225.00 NIST
Inp 1229.00 NIST
Inp 1252.00 NIST
Inp 1257.00 NIST
Inp 1260.00 NIST
Inp 1247.00 NIST
Inp 1251.00 NIST
Inp 1224.90 NIST
Inp 1223.90 NIST
Inp 1244.00 NIST
Inp 1249.00 NIST
Inp 1210.80 NIST
Inp 1211.70 NIST
Inp 1210.80 NIST
Inp 1213.00 NIST
Inp 1209.00 NIST
Inp 1224.00 NIST
Inp 1248.30 NIST
Inp 1243.00 NIST
Inp 1229.00 NIST
Inp 1225.00 NIST
Inp 1244.00 NIST
Inp 1253.00 NIST
Inp 1246.00 NIST
Inp 1251.00 NIST
Inp 1247.00 NIST
Inp Outlier 1193.00 NIST
Inp 1247.00 NIST
Inp 1245.00 NIST
Inp 1243.00 NIST
Inp 1247.00 NIST
Inp 1248.00 NIST
Inp 1243.00 NIST
Inp 1246.00 NIST
Inp 1213.00 NIST
Inp 1214.00 NIST
Inp 1219.00 NIST
Inp 1231.00 NIST
Inp 1247.00 NIST
Inp 1251.00 NIST
Inp 1247.00 NIST
Inp 1246.00 NIST
Inp 1245.00 NIST
Inp 1247.00 NIST
Inp 1255.00 NIST
Inp 1225.00 NIST
Inp 1225.00 NIST
Inp 1243.00 NIST
Inp 1249.00 NIST
Inp 1219.00 NIST
Inp 1252.00 NIST
Inp 1244.00 NIST
Inp 1243.00 NIST
Inp 1246.00 NIST
Inp 1213.00 NIST
Inp 1222.00 NIST
Inp 1247.00 NIST
Inp 1249.00 NIST
Inp 1246.00 NIST
I [1754.00; 1826.00]   Show Hide
I 1763.00 NIST
I 1779.00 NIST
I 1775.00 NIST
I 1783.00 NIST
I 1775.00 NIST
I 1793.00 NIST
I 1793.00 NIST
I 1776.00 NIST
I 1778.50 NIST
I 1781.80 NIST
I 1781.80 NIST
I 1784.70 NIST
I 1786.00 NIST
I 1765.00 NIST
I 1785.00 NIST
I Outlier 1826.00 NIST
I 1767.00 NIST
I 1755.00 NIST
I 1788.00 NIST
I 1781.00 NIST
I 1770.00 NIST
I 1768.00 NIST
I 1768.00 NIST
I 1782.00 NIST
I 1775.00 NIST
I 1780.00 NIST
I 1771.00 NIST
I 1786.00 NIST
I 1785.00 NIST
I Outlier 1818.00 NIST
I Outlier 1823.00 NIST
I Outlier 1818.00 NIST
I Outlier 1823.00 NIST
I 1770.00 NIST
I 1799.00 NIST
I 1783.00 NIST
I 1785.00 NIST
I 1760.00 NIST
I 1780.00 NIST
I 1773.00 NIST
I 1790.00 NIST
I 1795.00 NIST
I 1799.00 NIST
I 1754.00 NIST
I 1800.00 NIST
I 1797.00 NIST
I Outlier 1821.00 NIST
I 1773.00 NIST
I 1779.00 NIST
I 1793.00 NIST
I 1784.70 NIST
I 1788.00 NIST
I 1782.00 NIST
I 1785.00 NIST
I 1770.00 NIST
I 1786.00 NIST
I 1755.00 NIST
Tboil [500.20; 502.20] K Show Hide
Tboil 502.20 K NIST
Tboil 500.20 K NIST
Tboil 501.90 ± 0.50 K NIST
Tboil 501.90 ± 0.50 K NIST
Tboil 500.50 ± 1.00 K NIST
Tc 743.85 K Joback Calculated Property
Tfus 301.04 K Joback Calculated Property
Vc 0.511 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [300.47; 370.98] J/mol×K [531.17; 743.85] Show Hide
Cp,gas 300.47 J/mol×K 531.17 Joback Calculated Property
Cp,gas 314.07 J/mol×K 566.62 Joback Calculated Property
Cp,gas 326.90 J/mol×K 602.06 Joback Calculated Property
Cp,gas 338.99 J/mol×K 637.51 Joback Calculated Property
Cp,gas 350.35 J/mol×K 672.95 Joback Calculated Property
Cp,gas 361.01 J/mol×K 708.40 Joback Calculated Property
Cp,gas 370.98 J/mol×K 743.85 Joback Calculated Property
η [0.0016240; 0.0030020] Pa×s [288.15; 318.15] Show Hide
η 0.0030020 Pa×s 288.15 Densiti...
η 0.0023840 Pa×s 298.15 Densiti...
η 0.0019480 Pa×s 308.15 Densiti...
η 0.0016240 Pa×s 318.15 Densiti...
ΔvapH [54.00; 63.90] kJ/mol [308.00; 446.50] Show Hide
ΔvapH 63.90 ± 0.40 kJ/mol 308.00 NIST
ΔvapH 54.00 kJ/mol 446.50 NIST
ρl 1026.96 kg/m3 298.15 Refract...
γ [0.03; 0.04] N/m [288.15; 358.15] Show Hide
γ 0.04 N/m 288.15 Densiti...
γ 0.03 N/m 298.15 Densiti...
γ 0.03 N/m 308.15 Densiti...
γ 0.03 N/m 318.15 Densiti...
γ 0.03 N/m 328.15 Densiti...
γ 0.03 N/m 338.15 Densiti...
γ 0.03 N/m 348.15 Densiti...
γ 0.03 N/m 358.15 Densiti...

Correlations

Property Value Unit Temperature (K) Source
Pvap [8.70; 102.36] kPa [422.15; 506.15] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A1.65130e+02
Coefficient B-1.42761e+04
Coefficient C-2.16596e+01
Coefficient D1.00524e-05
Temperature range, min.422.15
Temperature range, max.506.15
Pvap 8.70 kPa 422.15 Calculated Property
Pvap 12.19 kPa 431.48 Calculated Property
Pvap 16.77 kPa 440.82 Calculated Property
Pvap 22.67 kPa 450.15 Calculated Property
Pvap 30.15 kPa 459.48 Calculated Property
Pvap 39.49 kPa 468.82 Calculated Property
Pvap 51.03 kPa 478.15 Calculated Property
Pvap 65.10 kPa 487.48 Calculated Property
Pvap 82.08 kPa 496.82 Calculated Property
Pvap 102.36 kPa 506.15 Calculated Property

Similar Compounds

Ethyl-p-tolylacetate. Ethyl meta-tolylacetate. 2-Chloroethyl phenyl acetate. Ethyl 2-(4-bromophenyl)acetate. 2-Naphthaleneacetic acid, ethyl ester. Benzeneacetic acid 1-methylethyl ester. Benzeneacetic acid, methyl ester. Phenylacetic acid propyl ester. Benzeneacetic acid, 2-propenyl ester. Benzeneacetic acid, 4-hydroxy-, ethyl ester. Benzeneacetic acid, 2-phenylethyl ester. P-benzenediacetic acid, dimethyl ester. 4-Methoxyphenylacetic acid ethyl ester. Benzeneacetic acid, 1-methyl-2-propynyl ester. Benzeneacetic acid, 2-methylpropyl ester.

Find more compounds similar to Benzeneacetic acid, ethyl 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.