Chemical Properties of 3,3,5-Trimethylcyclohexyl 2-(pentafluoropropionyloxy)benzoate

3,3,5-Trimethylcyclohexyl 2-(pentafluoropropionyloxy)benzoate

PDF Excel Molecule Calculator
InChI
InChI=1S/C19H21F5O4/c1-11-8-12(10-17(2,3)9-11)27-15(25)13-6-4-5-7-14(13)28-16(26)18(20,21)19(22,23)24/h4-7,11-12H,8-10H2,1-3H3
InChI Key
ODDCCKALFXEQNJ-UHFFFAOYSA-N
Formula
C19H21F5O4
SMILES
CC1CC(OC(=O)c2ccccc2OC(=O)C(F)(F)C(F)(F)F)CC(C)(C)C1
Molecular Weight1
408.36
Other Names
  • Benzoic acid, 2-pentafluoropropionyloxy-, 3,3,5-trimethylcyclohexyl ester
  • Heliophan pentafluoropropionate
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
Δf -1220.79 kJ/mol Joback Calculated Property
Δfgas -1669.20 kJ/mol Joback Calculated Property
Δfus 32.44 kJ/mol Joback Calculated Property
Δvap 71.12 kJ/mol Joback Calculated Property
log10WS -6.29 Crippen Calculated Property
logPoct/wat 5.161 Crippen Calculated Property
McVol 267.680 ml/mol McGowan Calculated Property
Pc 1438.07 kPa Joback Calculated Property
Inp [1835.00; 1835.00]   Show Hide
Inp 1835.00 NIST
Inp 1835.00 NIST
Tboil 818.70 K Joback Calculated Property
Tc 1027.58 K Joback Calculated Property
Tfus 517.74 K Joback Calculated Property
Vc 1.036 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [856.72; 948.17] J/mol×K [818.70; 1027.58] Show Hide
Cp,gas 856.72 J/mol×K 818.70 Joback Calculated Property
Cp,gas 873.56 J/mol×K 853.51 Joback Calculated Property
Cp,gas 889.59 J/mol×K 888.33 Joback Calculated Property
Cp,gas 904.93 J/mol×K 923.14 Joback Calculated Property
Cp,gas 919.73 J/mol×K 957.95 Joback Calculated Property
Cp,gas 934.10 J/mol×K 992.77 Joback Calculated Property
Cp,gas 948.17 J/mol×K 1027.58 Joback Calculated Property

Similar Compounds

3,3,5-Trimethylcyclohexyl 2-(heptafluorobutyryloxy)benzoate. 3,3,5-Trimethylcyclohexyl 2-(trifluoroacetyloxy)benzoate. 3,3,5-Trimethylcyclohexyl 2-acetoxybenzoate. Teferin. N-Acetylnornarcotine. 12-O-Methylcarnosol. Pimozide. Tetrabenazine M (desmethyl-HO-), monoacetylated. ethyl eburnamenine-14-carboxylate. Cytidine, etho-oxime-TMS derivative. Cytidine, buto-oxime-TMS derivative. guanosine-2'(3')-monophosphate, TMS. 2'-Deoxyguanosine, N-trimethylsilyl-, tris(trimethylsilyl) ether. Hydrastine. cis-1,2-Tetralinediol, ferrocenylboronate.

Find more compounds similar to 3,3,5-Trimethylcyclohexyl 2-(pentafluoropropionyloxy)benzoate.

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.