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

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

PDF Excel Molecule Calculator
InChI
InChI=1S/C20H21F7O4/c1-11-8-12(10-17(2,3)9-11)30-15(28)13-6-4-5-7-14(13)31-16(29)18(21,22)19(23,24)20(25,26)27/h4-7,11-12H,8-10H2,1-3H3
InChI Key
SGFABSORPRSFLG-UHFFFAOYSA-N
Formula
C20H21F7O4
SMILES
CC1CC(OC(=O)c2ccccc2OC(=O)C(F)(F)C(F)(F)C(F)(F)F)CC(C)(C)C1
Molecular Weight1
458.37
Other Names
  • Heliophan heptafluorobutyrate
  • Benzoic acid, 2-(heptafluorobutyryloxy)-, 3,3,5-trimethylcyclohexyl ester
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 -1599.15 kJ/mol Joback Calculated Property
Δfgas -2090.81 kJ/mol Joback Calculated Property
Δfus 33.78 kJ/mol Joback Calculated Property
Δvap 70.42 kJ/mol Joback Calculated Property
log10WS -7.03 Crippen Calculated Property
logPoct/wat 5.796 Crippen Calculated Property
McVol 285.310 ml/mol McGowan Calculated Property
Pc 1271.87 kPa Joback Calculated Property
Inp [1864.00; 1864.00]   Show Hide
Inp 1864.00 NIST
Inp 1864.00 NIST
Tboil 836.89 K Joback Calculated Property
Tc 1040.80 K Joback Calculated Property
Tfus 532.61 K Joback Calculated Property
Vc 1.117 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [931.25; 1021.18] J/mol×K [836.89; 1040.80] Show Hide
Cp,gas 931.25 J/mol×K 836.89 Joback Calculated Property
Cp,gas 947.60 J/mol×K 870.88 Joback Calculated Property
Cp,gas 963.22 J/mol×K 904.86 Joback Calculated Property
Cp,gas 978.25 J/mol×K 938.85 Joback Calculated Property
Cp,gas 992.82 J/mol×K 972.83 Joback Calculated Property
Cp,gas 1007.08 J/mol×K 1006.82 Joback Calculated Property
Cp,gas 1021.18 J/mol×K 1040.80 Joback Calculated Property

Similar Compounds

3,3,5-Trimethylcyclohexyl 2-(pentafluoropropionyloxy)benzoate. 3,3,5-Trimethylcyclohexyl 2-(trifluoroacetyloxy)benzoate. 3,3,5-Trimethylcyclohexyl 2-acetoxybenzoate. N-Acetylnornarcotine. 12-O-Methylcarnosol. Tetrabenazine M (desmethyl-HO-), monoacetylated. cis-1,2-Tetralinediol, ferrocenylboronate. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate. Noscapine. Hypoxanthine-7-ethanol, 2,3-dihydro-3-(diphenylmethyl)-, acetate. Butorphanol di-TMS derivative. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline. Hydrastine. Zinc octaethylporphyrin chloride. Benzo[b]-7-oxa-bicyclo[2,2,2]oct-2-en-5(exo),6(endo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester.

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