Chemical Properties of 3-Methoxybenzoic acid, 2,6-difluoro-«alpha»-methylbenzyl ester

3-Methoxybenzoic acid, 2,6-difluoro-«alpha»-methylbenzyl ester

InChI
InChI=1S/C16H14F2O3/c1-10(15-13(17)7-4-8-14(15)18)21-16(19)11-5-3-6-12(9-11)20-2/h3-10H,1-2H3
InChI Key
MAADJJDLWBXDPF-UHFFFAOYSA-N
Formula
C16H14F2O3
SMILES
COc1cccc(C(=O)OC(C)c2c(F)cccc2F)c1
Molecular Weight1
292.28
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Physical Properties

Property Value Unit Source
ΔfH°gas -720.43 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 32.30 kJ/mol Joback Calculated Property
ΔvapH° 94.83 kJ/mol Relay (1.0) Calculated Property
IE 8.44 eV Relay (1.0) Calculated Property
logPoct/wat 3.891 Crippen Calculated Property
McVol 205.630 ml/mol McGowan Calculated Property
Pc 2009.10 kPa Joback Calculated Property
Inp 2013.00 NIST
Tboil 601.97 K Relay (1.0) Calculated Property
Tc 837.68 K Relay (1.0) Calculated Property
Tfus 330.70 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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 [554.38; 624.72] J/mol×K [712.72; 928.54] Show Hide
Cp,gas 554.38 J/mol×K 712.72 Joback Calculated Property
Cp,gas 568.74 J/mol×K 748.69 Joback Calculated Property
Cp,gas 582.03 J/mol×K 784.66 Joback Calculated Property
Cp,gas 594.26 J/mol×K 820.63 Joback Calculated Property
Cp,gas 605.44 J/mol×K 856.60 Joback Calculated Property
Cp,gas 615.59 J/mol×K 892.57 Joback Calculated Property
Cp,gas 624.72 J/mol×K 928.54 Joback Calculated Property

Similar Compounds

2,6-Difluoro-.alpha.-methylbenzyl alcohol, benzoate. 2-Methoxybenzoic acid, 2-fluoro-.alpha.-methylbenzyl ester. Phthalic acid, di(1-(2,6-difluorophenyl)ethyl) ester. 4-(Methylthio)benzoic acid, 2,6-difluoro-«alpha»-methylbenzyl ester. Phthalic acid, 1-(2,6-difluorophenyl)ethyl hexyl ester. Phthalic acid, 1-(2,6-difluorophenyl)ethyl tridecyl ester. Phthalic acid, decyl 1-(2,6-difluorophenyl)ethyl ester. Phthalic acid, 1-(2,6-difluorophenyl)ethyl nonyl ester. Phthalic acid, 1-(2,6-difluorophenyl)ethyl dodecyl ester. Phthalic acid, 1-(2,6-difluorophenyl)ethyl heptyl ester. Phthalic acid, 1-(2,6-difluorophenyl)ethyl undecyl ester. Benzofuran-5-propanol, 2,3-dihydro-3-hydroxymethyl-7-methoxy-2-(4-hydroxy-3-methoxyphenyl), tris-TMS. Benzofuran-5-propanol, 2,3-dihydro-7-hydroxy-3-hydroxymethyl-2-(4-hydroxy-3-methoxyphenyl), tetrakis-TMS. 4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide. 2-Dimethylamino-8(ar)-methoxy-tetrahydro-1-acenaphthone.

Find more compounds similar to 3-Methoxybenzoic acid, 2,6-difluoro-«alpha»-methylbenzyl ester.

Sources

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