Chemical Properties of 1-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2-methoxy-2-oxoethyl 2,3,4,5,6-pentafluorobenzoate

1-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2-methoxy-2-oxoethyl 2,3,4,5,6-pentafluorobenzoate

InChI
InChI=1S/C15H13F5O6/c1-15(2)24-4-5(26-15)12(14(22)23-3)25-13(21)6-7(16)9(18)11(20)10(19)8(6)17/h5,12H,4H2,1-3H3
InChI Key
SRUJXXWXUCZDTP-UHFFFAOYSA-N
Formula
C15H13F5O6
SMILES
COC(=O)C(OC(=O)c1c(F)c(F)c(F)c(F)c1F)C1COC(C)(C)O1
Molecular Weight1
384.25
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° 51.98 kJ/mol Joback Calculated Property
logPoct/wat 2.232 Crippen Calculated Property
McVol 223.060 ml/mol McGowan Calculated Property
Inp [1759.00; 1759.00]   Show Hide
Inp 1759.00 NIST
Inp 1759.00 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, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [352.37; 747.90] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A3.65400e+01
Coefficient B1.39886e+00
Coefficient C-9.61000e-04
Coefficient D2.73500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 352.37 J/mol×K 273.00 Calculated Property
Cp,gas 423.26 J/mol×K 353.78 Calculated Property
Cp,gas 485.39 J/mol×K 434.56 Calculated Property
Cp,gas 539.64 J/mol×K 515.33 Calculated Property
Cp,gas 586.86 J/mol×K 596.11 Calculated Property
Cp,gas 627.93 J/mol×K 676.89 Calculated Property
Cp,gas 663.70 J/mol×K 757.67 Calculated Property
Cp,gas 695.04 J/mol×K 838.44 Calculated Property
Cp,gas 722.82 J/mol×K 919.22 Calculated Property
Cp,gas 747.90 J/mol×K 1000.00 Calculated Property

Similar Compounds

1-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2-methoxy-2-oxoethyl 3-chlorobenzoate. N6-TBDMS-Adenosine, 2',3',5'-tris-O-TBDMS. N6-TMS-Adenosine, 2',3',5'-tris-O-TBDMS. Adenosine-tetrakis(trimethylsilyl)-. Moexipril desethyl - H2O Me (Moexprilate - H2O Me). 7-[(2-hydroxy-2-phenylacetyl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. Valine-glutamine-tryptophan-leucine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative. adenosine-2'-monophosphate, TMS. 4H,6h-m-dioxino[4',5':5,6]pyrano[4,3-d]-4-oxazolin-2-one, hexahydro-4-methoxy-1,8-diphenyl-. 2'-Deoxyadenosine, 3',5',N6-tris(O-TBDMSi). N6-TMS-2'-Deoxyadenosine, 3'-O-TBDMS, 5'-OTMS. N6-TMS-2'-Deoxyadenosine, 3',5'-bis-O-TBDMS. N6-TMS-2'-Deoxyadenosine, 3'-O-TMS, 5'-O-TBDMS. Atropine, picolinyloxydimethylsilyl ether. Tropate, TMS.

Find more compounds similar to 1-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2-methoxy-2-oxoethyl 2,3,4,5,6-pentafluorobenzoate.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.