Chemical Properties of 2,4-Dimethyl-3-pentanol, trifluoroacetate

2,4-Dimethyl-3-pentanol, trifluoroacetate

InChI
InChI=1S/C9H15F3O2/c1-5(2)7(6(3)4)14-8(13)9(10,11)12/h5-7H,1-4H3
InChI Key
WOVKJHJBPIFBJG-UHFFFAOYSA-N
Formula
C9H15F3O2
SMILES
CC(C)C(OC(=O)C(F)(F)F)C(C)C
Molecular Weight1
212.21
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 -1153.58 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 13.11 kJ/mol Joback Calculated Property
ΔvapH° 46.94 kJ/mol Relay (1.0) Calculated Property
IE 10.68 eV Relay (1.0) Calculated Property
logPoct/wat 2.772 Crippen Calculated Property
McVol 150.420 ml/mol McGowan Calculated Property
Inp 835.00 NIST
Tboil 412.81 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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 [350.80; 422.79] J/mol×K [474.87; 644.13] Show Hide
Cp,gas 350.80 J/mol×K 474.87 Joback Calculated Property
Cp,gas 364.28 J/mol×K 503.08 Joback Calculated Property
Cp,gas 377.15 J/mol×K 531.29 Joback Calculated Property
Cp,gas 389.42 J/mol×K 559.50 Joback Calculated Property
Cp,gas 401.10 J/mol×K 587.71 Joback Calculated Property
Cp,gas 412.22 J/mol×K 615.92 Joback Calculated Property
Cp,gas 422.79 J/mol×K 644.13 Joback Calculated Property

Similar Compounds

2,4-Dimethyl-3-pentanol acetate. 2,4-Dimethyl-3-pentanol, pentafluoropropionate. Malonic acid, di(2,4-dimethylpent-3-yl) ester. Formic acid, 2,4-dimethylpent-3-yl ester. Acetic acid, trifluoro-, 1,2-dimethylbutyl ester, (R*,S*)-(+/-)-. Malonic acid, 2,4-dimethylpent-3-yl isobutyl ester. Fumaric acid, di(2,4-dimethylpent-3-yl) ester. 2,4-Dimethyl-3-pentanol, heptafluorobutyrate. Succinic acid, di(2,4-dimethylpent-3-yl) ester. Malonic acid, 2,4-dimethylpent-3-yl ethyl ester. Malonic acid, 2,4-dimethylpent-3-yl propyl ester. Malonic acid, di(2-methylpent-3-yl) ester. Succinic acid, 2,4-dimethylpent-3-yl isobutyl ester. Succinic acid, 3-methylbut-2-yl 2,4-dimethylpent-3-yl ester. Malonic acid, isobutyl 2-methylpent-3-yl ester.

Find more compounds similar to 2,4-Dimethyl-3-pentanol, trifluoroacetate.

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.