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

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

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
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Physical Properties

Property Value Unit Source
ΔfusH° 35.61 kJ/mol Joback Calculated Property
logPoct/wat 5.161 Crippen Calculated Property
McVol 267.680 ml/mol McGowan Calculated Property
Inp [1835.00; 1835.00]   Show Hide
Inp 1835.00 NIST
Inp 1835.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [387.07; 938.22] 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-1.05380e+02
Coefficient B2.23246e+00
Coefficient C-1.71316e-03
Coefficient D5.24300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 387.07 J/mol×K 273.00 Calculated Property
Cp,gas 493.21 J/mol×K 353.78 Calculated Property
Cp,gas 584.26 J/mol×K 434.56 Calculated Property
Cp,gas 661.87 J/mol×K 515.33 Calculated Property
Cp,gas 727.71 J/mol×K 596.11 Calculated Property
Cp,gas 783.42 J/mol×K 676.89 Calculated Property
Cp,gas 830.67 J/mol×K 757.67 Calculated Property
Cp,gas 871.11 J/mol×K 838.44 Calculated Property
Cp,gas 906.41 J/mol×K 919.22 Calculated Property
Cp,gas 938.22 J/mol×K 1000.00 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. Adenosine, 5'-S-methyl-5'-thio-N-(trimethylsilyl)-2',3'-bis-O-(trimethylsilyl)-. Noscapine. 9H-Purin-2-amine, N-(trimethylsilyl)-6-[(trimethylsilyl)oxy]-9-[2,3,5-tris-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline. cis-1,2-Tetralinediol, ferrocenylboronate. Hydrastine. ethyl eburnamenine-14-carboxylate. Zinc octaethylporphyrin chloride.

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

Sources

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