Chemical Properties of Benzoic acid, 2-hydroxy-, 3-methyl-2-butenyl ester (CAS 68555-58-8)

Benzoic acid, 2-hydroxy-, 3-methyl-2-butenyl ester

InChI
InChI=1S/C12H14O3/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-7,13H,8H2,1-2H3
InChI Key
MCAYDAOGSVHGEE-UHFFFAOYSA-N
Formula
C12H14O3
SMILES
CC(C)=CCOC(=O)c1ccccc1O
Molecular Weight1
206.24
CAS
68555-58-8
Other Names
  • 2-Buten-1-ol, 3-methyl-, salicylate
  • 3-Methyl-2-butenyl salicylate
  • Prenyl salicylate
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Physical Properties

Property Value Unit Source
ΔfH°gas -459.52 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 29.92 kJ/mol Joback Calculated Property
ΔvapH° 75.69 kJ/mol Relay (1.0) Calculated Property
IE 8.13 eV Relay (1.0) Calculated Property
log10WS -3.57 Relay (1.0) Calculated Property
logPoct/wat 2.515 Crippen Calculated Property
McVol 165.190 ml/mol McGowan Calculated Property
Pc 2992.59 kPa Joback Calculated Property
Tboil 555.01 K Relay (1.0) Calculated Property
Tc 778.19 K Relay (1.0) Calculated Property
Tfus 286.66 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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 [422.29; 489.91] J/mol×K [643.72; 870.00] Show Hide
Cp,gas 422.29 J/mol×K 643.72 Joback Calculated Property
Cp,gas 435.61 J/mol×K 681.43 Joback Calculated Property
Cp,gas 447.99 J/mol×K 719.15 Joback Calculated Property
Cp,gas 459.52 J/mol×K 756.86 Joback Calculated Property
Cp,gas 470.29 J/mol×K 794.57 Joback Calculated Property
Cp,gas 480.39 J/mol×K 832.28 Joback Calculated Property
Cp,gas 489.91 J/mol×K 870.00 Joback Calculated Property

Similar Compounds

o-anisic acid, 3-methylbut-2-enyl ester. Benzoic acid, 2-hydroxy-, 2-propenyl ester. cis-3-Hexenyl salicylate. (E)-Hex-3-enyl salicylate. m-Anisic acid, 3-methylbut-2-enyl ester. Benzoic acid, 2-hydroxy-, propyl ester. Benzoic acid, 2-hydroxy-, ethyl ester. Benzoic acid, 2-hydroxy-, 2-methylpropyl ester. 2-[(2-Hydroxybenzoyl)oxy]ethyl salicylate. Benzoic acid, 2-hydroxy-, 1-methylethyl ester. Benzoic acid, 2-hydroxy-, butyl ester. p-Anisic acid, 3-methylbut-2-enyl ester. o-anisic acid, undec-2-enyl ester. 2-HYDROXYETHYL SALICYLATE. o-anisic acid, pent-2-en-4-ynyl ester.

Find more compounds similar to Benzoic acid, 2-hydroxy-, 3-methyl-2-butenyl ester.

Sources

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