Chemical Properties of Benzoic acid, 3-hydroxy-, 1-methylethyl ester (CAS 53631-77-9)

Benzoic acid, 3-hydroxy-, 1-methylethyl ester

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InChI
InChI=1S/C10H12O3/c1-7(2)13-10(12)8-4-3-5-9(11)6-8/h3-7,11H,1-2H3
InChI Key
VANDBVAFPVUVNX-UHFFFAOYSA-N
Formula
C10H12O3
SMILES
CC(C)OC(=O)c1cccc(O)c1
Molecular Weight1
180.20
CAS
53631-77-9
Other Names
  • Benzoic acid, 3-hydroxy-, isopropyl ester
  • Isopropyl 3-hydroxybenzoate
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Physical Properties

Property Value Unit Source
Δf -245.25 kJ/mol Joback Calculated Property
Δfgas -440.59 kJ/mol Joback Calculated Property
Δfus 20.74 kJ/mol Joback Calculated Property
Δvap 61.91 kJ/mol Joback Calculated Property
log10WS -2.21 Crippen Calculated Property
logPoct/wat 1.957 Crippen Calculated Property
McVol 141.310 ml/mol McGowan Calculated Property
Pc 3699.95 kPa Joback Calculated Property
Inp 1501.00 NIST
Tboil 611.35 K Joback Calculated Property
Tc 839.56 K Joback Calculated Property
Tfus 397.76 K Joback Calculated Property
Vc 0.471 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [350.96; 414.28] J/mol×K [611.35; 839.56] Show Hide
Cp,gas 350.96 J/mol×K 611.35 Joback Calculated Property
Cp,gas 363.37 J/mol×K 649.38 Joback Calculated Property
Cp,gas 374.95 J/mol×K 687.42 Joback Calculated Property
Cp,gas 385.76 J/mol×K 725.45 Joback Calculated Property
Cp,gas 395.88 J/mol×K 763.49 Joback Calculated Property
Cp,gas 405.36 J/mol×K 801.52 Joback Calculated Property
Cp,gas 414.28 J/mol×K 839.56 Joback Calculated Property
η [0.0000300; 0.0012031] Pa×s [397.76; 611.35] Show Hide
η 0.0012031 Pa×s 397.76 Joback Calculated Property
η 0.0005049 Pa×s 433.36 Joback Calculated Property
η 0.0002417 Pa×s 468.96 Joback Calculated Property
η 0.0001284 Pa×s 504.56 Joback Calculated Property
η 0.0000742 Pa×s 540.15 Joback Calculated Property
η 0.0000458 Pa×s 575.75 Joback Calculated Property
η 0.0000300 Pa×s 611.35 Joback Calculated Property

Similar Compounds

Benzoic acid, 3-hydroxy-, tert.-butyl ester. Ethyl 3-hydroxybenzoate. Benzoic acid, 3-hydroxy-, 1-methylpropyl ester. Benzoic acid, 2-hydroxy-, 1-methylethyl ester. Benzoic acid, 3-methoxy-, isopropyl ester. isopropyl 4-hydroxybenzoate. Benzoic acid, 3-hydroxy-, 2-methylpropyl ester. Benzoic acid, 3-isopropyloxy-, isopropyl ester. Benzoic acid, 3-hydroxy-, methyl ester. Ethyl 3,4-dihydroxybenzoate. m-Anisic acid, but-3-yn-2-yl ester. Salicylic acid, tert.-butyl ester. Benzoic acid, 2-hydroxy-, ethyl ester. Benzoic acid, 3-hydroxy-, 3-methylbutyl ester. Benzoic acid, 2-hydroxy-, propyl ester.

Find more compounds similar to Benzoic acid, 3-hydroxy-, 1-methylethyl ester.

Sources

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