Chemical Properties of 2-(4-Methylcyclohex-3-enyl)propan-2-yl 2,3,4,5,6-pentafluorobenzoate

2-(4-Methylcyclohex-3-enyl)propan-2-yl 2,3,4,5,6-pentafluorobenzoate

InChI
InChI=1S/C17H17F5O2/c1-8-4-6-9(7-5-8)17(2,3)24-16(23)10-11(18)13(20)15(22)14(21)12(10)19/h4,9H,5-7H2,1-3H3
InChI Key
JCBVATYWTBSVOR-UHFFFAOYSA-N
Formula
C17H17F5O2
SMILES
CC1=CCC(C(C)(C)OC(=O)c2c(F)c(F)c(F)c(F)c2F)CC1
Molecular Weight1
348.31
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Physical Properties

Property Value Unit Source
ΔfusH° 35.32 kJ/mol Joback Calculated Property
logPoct/wat 5.064 Crippen Calculated Property
McVol 227.760 ml/mol McGowan Calculated Property
Inp 1789.00 NIST
Tboil 570.83 K Relay (1.0) Calculated Property
Tfus 292.36 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [662.53; 738.86] J/mol×K [733.04; 931.46] Show Hide
Cp,gas 662.53 J/mol×K 733.04 Joback Calculated Property
Cp,gas 677.64 J/mol×K 766.11 Joback Calculated Property
Cp,gas 691.77 J/mol×K 799.18 Joback Calculated Property
Cp,gas 704.93 J/mol×K 832.25 Joback Calculated Property
Cp,gas 717.14 J/mol×K 865.32 Joback Calculated Property
Cp,gas 728.45 J/mol×K 898.39 Joback Calculated Property
Cp,gas 738.86 J/mol×K 931.46 Joback Calculated Property

Similar Compounds

(6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl 2,3,4,5,6-pentafluorobenzoate. Terpinyl valerate. Sobrerol 8-acetate. trans-«beta»-Terpinyl butanoate. Bisabolol oxide. «alpha»-Bisabolone oxide A. «alpha»-Bisabolone oxide A. 2H-Pyran-3-ol, tetrahydro-2,2,6-trimethyl-6-(4-methyl-3-cyclohexen-1-yl)-, [3S-[3«alpha»,6«alpha»(R*)]]-. Terpinyl formate. epi-«alpha»-Bisabolol, acetate. «alpha»-Bisabolol acetate. «alpha»-Bisabolol, acetate. «alpha»-Terpinyl isovalerate. 3-Cyclohexene-1-methanol, «alpha»,«alpha»,4-trimethyl-, propanoate. Propanoic acid, 2-methyl-, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester.

Find more compounds similar to 2-(4-Methylcyclohex-3-enyl)propan-2-yl 2,3,4,5,6-pentafluorobenzoate.

Sources

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