Chemical Properties of Ethyl mandelate (CAS 774-40-3)

Ethyl mandelate

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InChI
InChI=1S/C10H12O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9,11H,2H2,1H3
InChI Key
SAXHIDRUJXPDOD-UHFFFAOYSA-N
Formula
C10H12O3
SMILES
CCOC(=O)C(O)c1ccccc1
Molecular Weight1
180.20
CAS
774-40-3
Other Names
  • Benzeneacetic acid, «alpha»-hydroxy-, ethyl ester
  • DL-Mandelic acid ethyl ester
  • Ethyl phenylglycolate
  • Mandelic acid, ethyl ester
  • Mandelsaeureaethylester
  • NSC 5307
Sources

Physical Properties

Property Value Unit Source
Δf -227.45 kJ/mol Joback Calculated Property
Δfgas -415.51 kJ/mol Joback Calculated Property
Δfus 19.05 kJ/mol Joback Calculated Property
Δvap 65.58 kJ/mol Joback Calculated Property
logPoct/wat 1.28 Crippen Calculated Property
Pc 3456.14 kPa Joback Calculated Property
Tboil 622.91 K Joback Calculated Property
Tc 825.20 K Joback Calculated Property
Tfus 346.86 K Joback Calculated Property
Vc 0.52 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 351.77 J/mol×K 622.91 Joback Calculated Property
η 0.00 Pa×s 622.91 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 5
-OH (alcohol) 1
=C< (ring) 1
-CH2- 1
-CH3 1

Similar Compounds

Benzeneacetic acid, «alpha»-hydroxy-, ethyl ester, (R)-. Methyl mandelate. Isoamyl mandelate. Mandelic acid. Mandelic acid. Benzeneacetic acid, «alpha»-hydroxy-, (S)-. Benzeneacetic acid, «alpha»-methoxy-, (.+/-.)-. Benzeneacetic acid, «alpha»-methoxy-, (.+/-.)-. Benzeneacetic acid, «alpha»-methoxy-, (S)-. (R)-(-)-«alpha»-Methoxyphenylacetic acid. Ethyl .beta.-methyl-.beta.-phenyl-glycolate. Benzenemethanol, «alpha»-(ethoxymethyl)-. Benzeneacetic acid, «alpha»-hydroxy-4-methoxy-, methyl ester. 3-Hydroxymandelic acid, methyl ester. 4-Fluoromandelic acid.

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