Chemical Properties of Methyl 3-trifluoromethylbenzoate (CAS 2557-13-3)

Methyl 3-trifluoromethylbenzoate

PDF Excel Molecule Calculator
InChI
InChI=1S/C9H7F3O2/c1-14-8(13)6-3-2-4-7(5-6)9(10,11)12/h2-5H,1H3
InChI Key
QQHNNQCWKYFNAC-UHFFFAOYSA-N
Formula
C9H7F3O2
SMILES
COC(=O)c1cccc(C(F)(F)F)c1
Molecular Weight1
204.15
CAS
2557-13-3
Other Names
  • Benzoic acid, 3-(trifluoromethyl)-, methyl ester
  • 4-CF3-C6H4-COOCH3
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
PAff 826.60 kJ/mol NIST
BasG 795.70 kJ/mol NIST
EA [0.60; 0.62] eV Show Hide
EA 0.62 ± 0.09 eV NIST
EA 0.60 ± 0.09 eV NIST
Δf -687.83 kJ/mol Joback Calculated Property
Δfgas -845.91 kJ/mol Joback Calculated Property
Δfus 17.33 kJ/mol Joback Calculated Property
Δvap 43.98 kJ/mol Joback Calculated Property
log10WS -2.82 Crippen Calculated Property
logPoct/wat 2.492 Crippen Calculated Property
McVol 126.660 ml/mol McGowan Calculated Property
Pc 2966.57 kPa Joback Calculated Property
Tboil 507.85 K Joback Calculated Property
Tc 706.00 K Joback Calculated Property
Tfus 306.48 K Joback Calculated Property
Vc 0.498 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [284.63; 342.69] J/mol×K [507.85; 706.00] Show Hide
Cp,gas 284.63 J/mol×K 507.85 Joback Calculated Property
Cp,gas 295.99 J/mol×K 540.87 Joback Calculated Property
Cp,gas 306.64 J/mol×K 573.90 Joback Calculated Property
Cp,gas 316.61 J/mol×K 606.92 Joback Calculated Property
Cp,gas 325.92 J/mol×K 639.95 Joback Calculated Property
Cp,gas 334.60 J/mol×K 672.97 Joback Calculated Property
Cp,gas 342.69 J/mol×K 706.00 Joback Calculated Property

Similar Compounds

methyl 3,5-diCF3-benzoate radical. Ethyl-3-trifluoromethyl benzoate. 3-Trifluoromethylbenzoic acid, 2,2,2-trichloroethyl ester. 3-(Trifluoromethyl)benzoic acid. 1,3-Benzenedicarboxylic acid, dimethyl ester. Methyl-4-trifluoromethylbenzoate. 3-Trifluoromethylbenzoic acid, 3-chloroprop-2-enyl ester. 1,3-Benzenedicarboxylic acid, monomethyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, methyl ester. 3-Trifluoromethylbenzoic acid, but-3-yn-2-yl ester. 3-Trifluoromethylbenzoic acid, 3-methylbut-2-enyl ester. 3-Trifluoromethylbenzoic acid, pent-2-en-4-ynyl ester. 3-CN-C6H4-COOCH3. 4-Fluoro-3-trifluoromethylbenzoic acid, ethyl ester. Benzoic acid, 3-methyl-, methyl ester.

Find more compounds similar to Methyl 3-trifluoromethylbenzoate.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.