Chemical Properties of 2,6-Difluoro-3-methylbenzoic acid, 2-dimethylaminoethyl ester

2,6-Difluoro-3-methylbenzoic acid, 2-dimethylaminoethyl ester

InChI
InChI=1S/C12H15F2NO2/c1-8-4-5-9(13)10(11(8)14)12(16)17-7-6-15(2)3/h4-5H,6-7H2,1-3H3
InChI Key
HUWOLAOZCUQHAP-UHFFFAOYSA-N
Formula
C12H15F2NO2
SMILES
Cc1ccc(F)c(C(=O)OCCN(C)C)c1F
Molecular Weight1
243.25
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Physical Properties

Property Value Unit Source
ΔfusH° 33.26 kJ/mol Joback Calculated Property
log10WS -2.59 Relay (1.0) Calculated Property
logPoct/wat 1.992 Crippen Calculated Property
McVol 177.140 ml/mol McGowan Calculated Property
Inp [1622.00; 1622.00]   Show Hide
Inp 1622.00 NIST
Inp 1622.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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 [258.69; 571.05] 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 A2.78720e+01
Coefficient B9.79160e-01
Coefficient C-5.09880e-04
Coefficient D7.39000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 258.69 J/mol×K 273.00 Calculated Property
Cp,gas 313.73 J/mol×K 353.78 Calculated Property
Cp,gas 363.15 J/mol×K 434.56 Calculated Property
Cp,gas 407.17 J/mol×K 515.33 Calculated Property
Cp,gas 446.03 J/mol×K 596.11 Calculated Property
Cp,gas 479.96 J/mol×K 676.89 Calculated Property
Cp,gas 509.19 J/mol×K 757.67 Calculated Property
Cp,gas 533.96 J/mol×K 838.44 Calculated Property
Cp,gas 554.50 J/mol×K 919.22 Calculated Property
Cp,gas 571.05 J/mol×K 1000.00 Calculated Property

Similar Compounds

2,6-Difluoro-3-methylbenzoic acid, ethyl ester. 2,6-Difluoro-3-methylbenzoic acid, isopropyl ester. 2,6-Difluoro-3-methylbenzoic acid, 2-ethoxyethyl ester. 2,6-Difluoro-3-methylbenzoic acid, 2-methoxyethyl ester. 2,6-Difluoro-3-methylbenzoic acid, isobutyl ester. 2,6-Difluoro-3-methylbenzoic acid, butyl ester. 2,6-Difluoro-3-methylbenzoic acid, neopentyl ester. 1,5-Pentanediol, O,O'-di(2,6-difluoro-3-methylbenzoyl)-. 2,6-Difluoro-3-methylbenzoic acid, pentyl ester. 2,6-Difluoro-3-methylbenzoic acid, 2-methylbutyl ester. 2,6-Difluoro-3-methylbenzoic acid, hexyl ester. 2,6-Difluoro-3-methylbenzoic acid, heptyl ester. 2,6-Difluoro-3-methylbenzoic acid, heptadecyl ester. 2,6-Difluoro-3-methylbenzoic acid, tetradecyl ester. 2,6-Difluoro-3-methylbenzoic acid, pentadecyl ester.

Find more compounds similar to 2,6-Difluoro-3-methylbenzoic acid, 2-dimethylaminoethyl ester.

Sources

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