Chemical Properties of Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl pentyl ester

Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl pentyl ester

InChI
InChI=1S/C15H24BrF3O4/c1-4-7-8-9-22-12(20)14(5-2,6-3)13(21)23-11(10-16)15(17,18)19/h11H,4-10H2,1-3H3
InChI Key
LNVZDUPSSGBEDE-UHFFFAOYSA-N
Formula
C15H24BrF3O4
SMILES
CCCCCOC(=O)C(CC)(CC)C(=O)OC(CBr)C(F)(F)F
Molecular Weight1
405.25
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° 39.52 kJ/mol Joback Calculated Property
logPoct/wat 4.395 Crippen Calculated Property
McVol 259.900 ml/mol McGowan Calculated Property
Inp [1659.00; 1659.00]   Show Hide
Inp 1659.00 NIST
Inp 1659.00 NIST
Tboil 564.86 K Relay (1.0) Calculated Property
Tfus 292.31 K Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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 [739.75; 813.53] J/mol×K [716.31; 897.07] Show Hide
Cp,gas 739.75 J/mol×K 716.31 Joback Calculated Property
Cp,gas 754.25 J/mol×K 746.44 Joback Calculated Property
Cp,gas 767.82 J/mol×K 776.56 Joback Calculated Property
Cp,gas 780.50 J/mol×K 806.69 Joback Calculated Property
Cp,gas 792.31 J/mol×K 836.82 Joback Calculated Property
Cp,gas 803.31 J/mol×K 866.94 Joback Calculated Property
Cp,gas 813.53 J/mol×K 897.07 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl hexyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl tridecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl octyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl pentadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl tetradecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl decyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl heptadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl nonyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl octadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl heptyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl undecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl dodecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl hexadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl propyl ester. Diethylmalonic acid, pentyl 1,1,1-trifluoroprop-2-yl ester.

Find more compounds similar to Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl pentyl 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.