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

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

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
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Physical Properties

Property Value Unit Source
ΔfusH° 33.78 kJ/mol Joback Calculated Property
logPoct/wat 5.797 Crippen Calculated Property
McVol 285.310 ml/mol McGowan Calculated Property
Inp [1864.00; 1864.00]   Show Hide
Inp 1864.00 NIST
Inp 1864.00 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.

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. Noscapine. Hydrastine. Hypoxanthine-7-ethanol, 2,3-dihydro-3-(diphenylmethyl)-, acetate. Zinc octaethylporphyrin chloride. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate. Butorphanol di-TMS derivative. Benzo[b]-7-oxa-bicyclo[2,2,2]oct-2-en-5(endo),6(endo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester.

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

Sources

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