Chemical Properties of Pentadecafluorooctanoic acid, 2,7-dimethyloct-1-en-3-yn-5-yl ester

Pentadecafluorooctanoic acid, 2,7-dimethyloct-1-en-3-yn-5-yl ester

InChI
InChI=1S/C18H15F15O2/c1-8(2)5-6-10(7-9(3)4)35-11(34)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)17(29,30)18(31,32)33/h9-10H,1,7H2,2-4H3
InChI Key
NFZUCRFRZSIQAT-UHFFFAOYSA-N
Formula
C18H15F15O2
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Molecular Weight1
548.29
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
ΔfusH° 34.53 kJ/mol Joback Calculated Property
logPoct/wat 6.898 Crippen Calculated Property
McVol 285.570 ml/mol McGowan Calculated Property
Inp [1277.00; 1277.00]   Show Hide
Inp 1277.00 NIST
Inp 1277.00 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 [489.24; 983.58] 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 A-5.64990e+01
Coefficient B2.55856e+00
Coefficient C-2.24886e-03
Coefficient D7.30380e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 489.24 J/mol×K 273.00 Calculated Property
Cp,gas 599.54 J/mol×K 353.78 Calculated Property
Cp,gas 690.60 J/mol×K 434.56 Calculated Property
Cp,gas 764.74 J/mol×K 515.33 Calculated Property
Cp,gas 824.27 J/mol×K 596.11 Calculated Property
Cp,gas 871.50 J/mol×K 676.89 Calculated Property
Cp,gas 908.73 J/mol×K 757.67 Calculated Property
Cp,gas 938.29 J/mol×K 838.44 Calculated Property
Cp,gas 962.47 J/mol×K 919.22 Calculated Property
Cp,gas 983.58 J/mol×K 1000.00 Calculated Property

Similar Compounds

Pentadecafluorooctanoic acid, 2-methyloct-5-en-4-yl ester. Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2,6-dimethylnon-1-en-3-yn-5-yl ester. Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2,6-dimethylnon-1-en-3-yn-5-yl ester. Pentadecafluorooctanoic acid, 4-methyl-2-pentyl ester. Succinic acid, 2,2,3,3-tetrafluoropropyl 2,6-dimethylnon-1-en-3-yn-5-yl ester. Sebacic acid, 2,7-dimethylocta-7-en-5-yn-4-yl heptyl ester. Sebacic acid, 2,7-dimethylocta-7-en-5-yn-4-yl pentyl ester. Sebacic acid, 2,7-dimethylocta-7-en-5-yn-4-yl hexyl ester. 3-Phenylpropionic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Glutaric acid, 2,2,3,3-tetrafluoropropyl 2,6-dimethylnon-1-en-3-yn-5-yl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl isohexyl ester. Cyclobutanecarboxylic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2-methyloct-5-yn-4-yl ester. Sebacic acid, 2,7-dimethylocta-7-en-5-yn-4-yl isobutyl ester. Glutaric acid, 8-chlorooctyl 2,6-dimethylnon-1-en-3-yn-5-yl ester.

Find more compounds similar to Pentadecafluorooctanoic acid, 2,7-dimethyloct-1-en-3-yn-5-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.
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.