Chemical Properties of 2-Methoxybenzoic acid, 2-fluoro-.alpha.-methylbenzyl ester

2-Methoxybenzoic acid, 2-fluoro-.alpha.-methylbenzyl ester

InChI
InChI=1S/C16H15FO3/c1-11(12-7-3-5-9-14(12)17)20-16(18)13-8-4-6-10-15(13)19-2/h3-11H,1-2H3
InChI Key
VSAHPJFCCZRPMM-UHFFFAOYSA-N
Formula
C16H15FO3
SMILES
COc1ccccc1C(=O)OC(C)c1ccccc1F
Molecular Weight1
274.29
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Physical Properties

Property Value Unit Source
ΔfH°gas -570.01 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 29.61 kJ/mol Joback Calculated Property
ΔvapH° 92.26 kJ/mol Relay (1.0) Calculated Property
log10WS -4.07 Relay (1.0) Calculated Property
logPoct/wat 3.752 Crippen Calculated Property
McVol 203.860 ml/mol McGowan Calculated Property
Inp 2000.00 NIST
Tboil 594.96 K Relay (1.0) Calculated Property
Tfus 316.39 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [275.12; 635.87] 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 A4.45000e+00
Coefficient B1.14674e+00
Coefficient C-5.88920e-04
Coefficient D7.36000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 275.12 J/mol×K 273.00 Calculated Property
Cp,gas 339.69 J/mol×K 353.78 Calculated Property
Cp,gas 397.60 J/mol×K 434.56 Calculated Property
Cp,gas 449.08 J/mol×K 515.33 Calculated Property
Cp,gas 494.35 J/mol×K 596.11 Calculated Property
Cp,gas 533.66 J/mol×K 676.89 Calculated Property
Cp,gas 567.23 J/mol×K 757.67 Calculated Property
Cp,gas 595.30 J/mol×K 838.44 Calculated Property
Cp,gas 618.11 J/mol×K 919.22 Calculated Property
Cp,gas 635.87 J/mol×K 1000.00 Calculated Property

Similar Compounds

3-Methoxybenzoic acid, 2,6-difluoro-«alpha»-methylbenzyl ester. Lysergol. amikacin. Estra-1,3,5(10)-trien-17-one, 1-methyl-3,6,7-tris[(trifluoroacetyl)oxy]-, (6«alpha»,7«alpha»)-. Oestrone, 6-dehydro, TFA. Zinc octaethylporphyrin chloride. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 2. Hydrastine. Tazettine. Noscapine. Butorphanol di-TMS derivative. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. cis-1,2-Tetralinediol, ferrocenylboronate. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate.

Find more compounds similar to 2-Methoxybenzoic acid, 2-fluoro-.alpha.-methylbenzyl ester.

Sources

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