Chemical Properties of Benzenepropanoic acid, .alpha.-hydroxy-, methyl ester

Benzenepropanoic acid, .alpha.-hydroxy-, methyl ester

InChI
InChI=1S/C10H12O3/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3
InChI Key
NMPPJJIBQQCOOI-UHFFFAOYSA-N
Formula
C10H12O3
SMILES
COC(=O)C(O)Cc1ccccc1
Molecular Weight1
180.20
Other Names
  • Lactic acid, 3-phenyl-, methyl ester
  • «beta»-Phenyllactic acid methyl ester
  • Methyl 2-hydroxy-3-phenylpropionate
  • Methyl 2-hydroxy-3-phenylpropanoate
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Physical Properties

Property Value Unit Source
ω 0.6527 Relay (1.0) Calculated Property
ΔfH°gas -476.91 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 20.63 kJ/mol Joback Calculated Property
ΔvapH° 82.46 kJ/mol Relay (1.0) Calculated Property
IE 9.07 eV Relay (1.0) Calculated Property
log10WS -0.65 Relay (1.0) Calculated Property
logPoct/wat 0.763 Crippen Calculated Property
McVol 141.310 ml/mol McGowan Calculated Property
Pc 3295.37 kPa Joback Calculated Property
Inp [1320.00; 1634.20]   Show Hide
Inp 1328.00 NIST
Inp 1336.00 NIST
Inp Outlier 1634.20 NIST
Inp 1320.00 NIST
Inp 1320.00 NIST
Inp 1328.00 NIST
Tboil 531.03 K Relay (1.0) Calculated Property
Tc 754.00 K Relay (1.0) Calculated Property
Tfus 307.32 K Relay (1.0) Calculated Property
Vc 0.511 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [188.89; 444.03] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.10890e+01
Coefficient B8.60020e-01
Coefficient C-4.90400e-04
Coefficient D8.55000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 188.89 J/mol×K 273.00 Calculated Property
Cp,gas 235.57 J/mol×K 353.78 Calculated Property
Cp,gas 277.05 J/mol×K 434.56 Calculated Property
Cp,gas 313.57 J/mol×K 515.33 Calculated Property
Cp,gas 345.43 J/mol×K 596.11 Calculated Property
Cp,gas 372.87 J/mol×K 676.89 Calculated Property
Cp,gas 396.19 J/mol×K 757.67 Calculated Property
Cp,gas 415.64 J/mol×K 838.44 Calculated Property
Cp,gas 431.50 J/mol×K 919.22 Calculated Property
Cp,gas 444.03 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0107529; 0.0000943] Pa×s [317.03; 563.60] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.53599e+01
Coefficient B3.43259e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.317.03
Temperature range, max.563.60
η 0.0107529 Pa×s 317.03 Calculated Property
η 0.0045447 Pa×s 344.43 Calculated Property
η 0.0021807 Pa×s 371.82 Calculated Property
η 0.0011573 Pa×s 399.22 Calculated Property
η 0.0006663 Pa×s 426.61 Calculated Property
η 0.0004100 Pa×s 454.01 Calculated Property
η 0.0002666 Pa×s 481.41 Calculated Property
η 0.0001816 Pa×s 508.80 Calculated Property
η 0.0001287 Pa×s 536.20 Calculated Property
η 0.0000943 Pa×s 563.60 Calculated Property

Similar Compounds

ethyl 2-hydroxy-3-phenylpropanoate. Benzenepropanoic acid, «alpha»-hydroxy-4-methoxy-, methyl ester. L-(-)-2-HYDROXY-3-PHENYLPROPIONIC ACID. p-Hydroxyphenyllactic acid, TFA-ME. 2-PHENETHYL-beta-PHENYLPROPIONATE. Benzenepropanoic acid, «alpha»-[(trimethylsilyl)oxy]-, trimethylsilyl ester. 3-hydroxy-4-phenyl-2-butanone. Oxiranecarboxylic acid, 3-phenyl-, ethyl ester. (S)-p-Hydroxyphenyllactic acid, (S)-(+)-3-methyl-2-butyl ester, O-TFA. (R)-p-Hydroxyphenyllactic acid, (S)-(+)-3-methyl-2-butyl ester, O-TFA. Phenyllactic acid, 4-methoxy, TMS. 3-Phenylpropionic acid, tridec-2-ynyl ester. Littorine. Propanedioic acid, (phenylmethyl)-, diethyl ester. (Z)-Hex-3-enyl dihydrocinnamate.

Find more compounds similar to Benzenepropanoic acid, .alpha.-hydroxy-, methyl ester.

Sources

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