Chemical Properties of 2-Trifluoromethylbenzoic acid, oct-3-en-2-yl ester

2-Trifluoromethylbenzoic acid, oct-3-en-2-yl ester

InChI
InChI=1S/C16H19F3O2/c1-3-4-5-6-9-12(2)21-15(20)13-10-7-8-11-14(13)16(17,18)19/h6-12H,3-5H2,1-2H3/b9-6+
InChI Key
HSVKKFDNJAQXQX-RMKNXTFCSA-N
Formula
C16H19F3O2
SMILES
CCCCC=CC(C)OC(=O)c1ccccc1C(F)(F)F
Molecular Weight1
300.32
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
ΔfusH° 33.72 kJ/mol Joback Calculated Property
log10WS -4.95 Relay (1.0) Calculated Property
logPoct/wat 4.997 Crippen Calculated Property
McVol 220.990 ml/mol McGowan Calculated Property
Inp [1655.00; 1655.00]   Show Hide
Inp 1655.00 NIST
Inp 1655.00 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [598.82; 678.92] J/mol×K [653.86; 844.33] Show Hide
Cp,gas 598.82 J/mol×K 653.86 Joback Calculated Property
Cp,gas 614.49 J/mol×K 685.61 Joback Calculated Property
Cp,gas 629.16 J/mol×K 717.35 Joback Calculated Property
Cp,gas 642.89 J/mol×K 749.10 Joback Calculated Property
Cp,gas 655.73 J/mol×K 780.84 Joback Calculated Property
Cp,gas 667.72 J/mol×K 812.59 Joback Calculated Property
Cp,gas 678.92 J/mol×K 844.33 Joback Calculated Property

Similar Compounds

3-Trifluoromethylbenzoic acid, oct-3-en-2-yl ester. o-Toluic acid, oct-3-en-2-yl ester. 2-Trifluoromethylbenzoic acid, undec-2-enyl ester. 4-(Trifluoromethyl)benzoic acid, oct-3-en-2-yl ester. Isophthalic acid, di(oct-3-en-2-yl) ester. Isophthalic acid, isobutyl oct-3-en-2-yl ester. Isophthalic acid, oct-3-en-2-yl propyl ester. m-Toluic acid, oct-3-en-2-yl ester. 4-Cyanobenzoic acid, oct-3-en-2-yl ester. Isophthalic acid, oct-3-en-2-yl pentyl ester. Isophthalic acid, butyl oct-3-en-2-yl ester. Isophthalic acid, hexyl oct-3-en-2-yl ester. Isophthalic acid, isohexyl oct-3-en-2-yl ester. 1-Naphthoic acid, oct-3-en-2-yl ester. 3-Fluorobenzoic acid, oct-3-en-2-yl ester.

Find more compounds similar to 2-Trifluoromethylbenzoic acid, oct-3-en-2-yl 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.