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
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
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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [547.46; 621.40] J/mol×K [708.47; 932.64] Show Hide
Cp,gas 547.46 J/mol×K 708.47 Joback Calculated Property
Cp,gas 562.66 J/mol×K 745.83 Joback Calculated Property
Cp,gas 576.69 J/mol×K 783.19 Joback Calculated Property
Cp,gas 589.55 J/mol×K 820.56 Joback Calculated Property
Cp,gas 601.27 J/mol×K 857.92 Joback Calculated Property
Cp,gas 611.88 J/mol×K 895.28 Joback Calculated Property
Cp,gas 621.40 J/mol×K 932.64 Joback 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

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.
These property values are available through the Cheméo API. A free account gives you an access key.