Chemical Properties of (6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl 3-chlorobenzoate

(6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl 3-chlorobenzoate

InChI
InChI=1S/C17H19ClO2/c1-17(2)13-7-6-12(15(17)9-13)10-20-16(19)11-4-3-5-14(18)8-11/h3-6,8,13,15H,7,9-10H2,1-2H3
InChI Key
XNSRECQDHQFWQH-UHFFFAOYSA-N
Formula
C17H19ClO2
SMILES
CC1(C)C2CC=C(COC(=O)c3cccc(Cl)c3)C1C2
Molecular Weight1
290.79
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Physical Properties

Property Value Unit Source
ΔfusH° 31.78 kJ/mol Joback Calculated Property
logPoct/wat 4.489 Crippen Calculated Property
McVol 220.290 ml/mol McGowan Calculated Property
Inp [2128.00; 2128.00]   Show Hide
Inp 2128.00 NIST
Inp 2128.00 NIST
Tboil 614.33 K Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [283.79; 732.09] 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-1.21449e+02
Coefficient B1.87454e+00
Coefficient C-1.58240e-03
Coefficient D5.61400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 283.79 J/mol×K 273.00 Calculated Property
Cp,gas 368.53 J/mol×K 353.78 Calculated Property
Cp,gas 440.39 J/mol×K 434.56 Calculated Property
Cp,gas 501.16 J/mol×K 515.33 Calculated Property
Cp,gas 552.60 J/mol×K 596.11 Calculated Property
Cp,gas 596.49 J/mol×K 676.89 Calculated Property
Cp,gas 634.62 J/mol×K 757.67 Calculated Property
Cp,gas 668.74 J/mol×K 838.44 Calculated Property
Cp,gas 700.64 J/mol×K 919.22 Calculated Property
Cp,gas 732.09 J/mol×K 1000.00 Calculated Property

Similar Compounds

Hypoxanthine-7-ethanol, 2,3-dihydro-3-(diphenylmethyl)-, acetate. [6-[6-[[4-acetyloxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate. (1'S,3R,4a'S,5a'S,10a'S)-Methyl 1'-methyl-2-oxo-1',4a',5',5a',7',8',10',10a'-octahydrospiro[indoline-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 2. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. Zinc octaethylporphyrin chloride. Formosanan-16-carboxylic acid, 19-methyl-2-oxo-, methyl ester, (19«alpha»)-. 5,6-Dihydrouracil riboside, TMS. azadirachtin. Nalmefene, bis(trifluoroacetate). N-Desmethylmirtazapine. Mirtazapine-M (oxo-). MIRTAZAPINE. Tetrahydrocannabinol. CODEIN-PROPIONYL.

Find more compounds similar to (6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl 3-chlorobenzoate.

Sources

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