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
ω 0.6764 Relay (1.0) Calculated Property
ΔfG° -451.21 kJ/mol Joback Calculated Property
ΔfH°gas -720.43 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 30.72 kJ/mol Joback Calculated Property
ΔvapH° 94.44 kJ/mol Relay (1.0) Calculated Property
IE 8.44 eV Relay (1.0) Calculated Property
log10WS -4.67 Relay (1.0) Calculated Property
logPoct/wat 3.891 Crippen Calculated Property
McVol 205.630 ml/mol McGowan Calculated Property
Pc 2085.03 kPa Joback Calculated Property
Inp 2013.00 NIST
Tboil 601.97 K Relay (1.0) Calculated Property
Tc 836.67 K Relay (1.0) Calculated Property
Tfus 333.74 K Relay (1.0) Calculated Property
Vc 0.751 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [558.61; 628.03] J/mol×K [730.59; 948.21] Show Hide
Cp,gas 558.61 J/mol×K 730.59 Joback Calculated Property
Cp,gas 572.73 J/mol×K 766.86 Joback Calculated Property
Cp,gas 585.81 J/mol×K 803.13 Joback Calculated Property
Cp,gas 597.86 J/mol×K 839.40 Joback Calculated Property
Cp,gas 608.91 J/mol×K 875.67 Joback Calculated Property
Cp,gas 618.96 J/mol×K 911.94 Joback Calculated Property
Cp,gas 628.03 J/mol×K 948.21 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 heptyl ester. Phthalic acid, 1-(2,6-difluorophenyl)ethyl dodecyl ester. Phthalic acid, 1-(2,6-difluorophenyl)ethyl undecyl ester. Phthalic acid, decyl 1-(2,6-difluorophenyl)ethyl ester. Phthalic acid, 1-(2,6-difluorophenyl)ethyl tridecyl ester. Phthalic acid, 1-(2,6-difluorophenyl)ethyl nonyl ester. Benzofuran-5-propanol, 2,3-dihydro-7-hydroxy-3-hydroxymethyl-2-(4-hydroxy-3-methoxyphenyl), tetrakis-TMS. Benzofuran-5-propanol, 2,3-dihydro-3-hydroxymethyl-7-methoxy-2-(4-hydroxy-3-methoxyphenyl), tris-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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