Chemical Properties of Benzeneacetic acid, «alpha»,4-dihydroxy-3-methoxy-, methyl ester (CAS 2911-74-2)

Benzeneacetic acid, «alpha»,4-dihydroxy-3-methoxy-, methyl ester

InChI
InChI=1S/C10H12O5/c1-14-8-5-6(3-4-7(8)11)9(12)10(13)15-2/h3-5,9,11-12H,1-2H3
InChI Key
XPQNHALAUGGUJN-UHFFFAOYSA-N
Formula
C10H12O5
SMILES
COC(=O)C(O)c1ccc(O)c(OC)c1
Molecular Weight1
212.20
CAS
2911-74-2
Other Names
  • Mandelic acid, 4-hydroxy-3-methoxy-, methyl ester
  • Methyl hydroxy(4-hydroxy-3-methoxyphenyl)acetate
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Physical Properties

Property Value Unit Source
ΔfH°gas -781.80 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 27.21 kJ/mol Joback Calculated Property
ΔvapH° 96.78 kJ/mol Relay (1.0) Calculated Property
log10WS -0.62 Relay (1.0) Calculated Property
logPoct/wat 0.607 Crippen Calculated Property
McVol 153.050 ml/mol McGowan Calculated Property
Inp 1709.40 NIST
Tboil 553.74 K Relay (1.0) Calculated Property
Tfus 370.69 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [416.99; 467.47] J/mol×K [713.06; 921.51] Show Hide
Cp,gas 416.99 J/mol×K 713.06 Joback Calculated Property
Cp,gas 426.84 J/mol×K 747.80 Joback Calculated Property
Cp,gas 436.06 J/mol×K 782.54 Joback Calculated Property
Cp,gas 444.71 J/mol×K 817.29 Joback Calculated Property
Cp,gas 452.80 J/mol×K 852.03 Joback Calculated Property
Cp,gas 460.37 J/mol×K 886.77 Joback Calculated Property
Cp,gas 467.47 J/mol×K 921.51 Joback Calculated Property
η [0.0000029; 0.0002723] Pa×s [463.50; 713.06] Show Hide
η 0.0002723 Pa×s 463.50 Joback Calculated Property
η 0.0000935 Pa×s 505.09 Joback Calculated Property
η 0.0000378 Pa×s 546.69 Joback Calculated Property
η 0.0000174 Pa×s 588.28 Joback Calculated Property
η 0.0000088 Pa×s 629.87 Joback Calculated Property
η 0.0000049 Pa×s 671.47 Joback Calculated Property
η 0.0000029 Pa×s 713.06 Joback Calculated Property

Similar Compounds

Mandelic acid, 3,4-dimethoxy-, methyl ester. Methyl (3,4-dimethoxyphenyl)(methoxy)acetate. 3-Hydroxymandelic acid, methyl ester. Vanillylmandelic acid, TFA-ME. Benzeneacetic acid, .alpha.-hydroxy-4-methoxy-, methyl ester. 3-Hydroxymandelic acid, dimethyl ether, methyl ester. 3,4-dihydroxymandelic acid, TFA-ME. 4-(1-Hydroxyallyl)-2-methoxyphenol. m-Hydroxymandelic acid, TFA-ME. Vanillylmandelic acid, acetyl, DTFMBz. 1,2-Dimethoxy-4-(1,2-dimethoxyethyl)benzene. Benzeneacetic acid, 3-methoxy-«alpha»,4-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester. Dihydroxymandelic acid, acetyl, DTFMBz. Mandelic acid, 3,4-dihydroxy, DCTFA-acetate. ETHYL HOMOVANILLATE.

Find more compounds similar to Benzeneacetic acid, «alpha»,4-dihydroxy-3-methoxy-, methyl ester.

Sources

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