Chemical Properties of Fenchyl acetate (CAS 13851-11-1)

Fenchyl acetate

InChI
InChI=1S/C12H20O2/c1-8(13)14-10-11(2,3)9-5-6-12(10,4)7-9/h9-10H,5-7H2,1-4H3
InChI Key
JUWUWIGZUVEFQB-UHFFFAOYSA-N
Formula
C12H20O2
SMILES
CC(=O)OC1C2(C)CCC(C2)C1(C)C
Molecular Weight1
196.29
CAS
13851-11-1
Other Names
  • Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, acetate
  • 1,3,3-Trimethyl-2-norbornanyl acetate
  • 2-Norbornanol, 1,3,3-trimethyl-, acetate
  • 1,3,3-Trimethylbicyclo[2.2.1]hept-2-yl acetate
  • NSC 404295
  • Fenchyl acetate (Isomer)
  • 3,3-dimethyl-8,9-dinorbornan-2-yl acetate
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Physical Properties

Property Value Unit Source
ΔfusH° 14.92 kJ/mol Joback Calculated Property
logPoct/wat 2.764 Crippen Calculated Property
McVol 165.660 ml/mol McGowan Calculated Property
Inp [1198.00; 1253.00]   Show Hide
Inp 1207.00 NIST
Inp 1206.00 NIST
Inp 1207.00 NIST
Inp 1205.00 NIST
Inp 1223.00 NIST
Inp 1214.00 NIST
Inp 1207.00 NIST
Inp 1217.00 NIST
Inp 1208.00 NIST
Inp 1220.00 NIST
Inp 1208.00 NIST
Inp 1206.00 NIST
Inp 1208.00 NIST
Inp 1222.60 NIST
Inp 1228.00 NIST
Inp 1233.00 NIST
Inp 1210.00 NIST
Inp 1209.00 NIST
Inp 1221.00 NIST
Inp Outlier 1240.00 NIST
Inp 1219.00 NIST
Inp 1232.00 NIST
Inp 1204.00 NIST
Inp 1230.00 NIST
Inp 1232.00 NIST
Inp 1198.00 NIST
Inp 1199.00 NIST
Inp 1220.00 NIST
Inp 1225.00 NIST
Inp 1211.00 NIST
Inp 1220.00 NIST
Inp 1203.00 NIST
Inp 1209.00 NIST
Inp 1201.00 NIST
Inp Outlier 1253.00 NIST
Inp 1216.00 NIST
Inp 1226.00 NIST
Inp 1221.00 NIST
Inp 1220.00 NIST
Inp 1223.00 NIST
Inp 1212.00 NIST
Inp 1220.00 NIST
Inp 1201.00 NIST
Inp 1220.00 NIST
Ip [1426.00; 1482.00]   Show Hide
Ip 1460.00 NIST
Ip 1466.00 NIST
Ip 1464.00 NIST
Ip 1459.00 NIST
Ip 1464.00 NIST
Ip 1470.00 NIST
Ip 1464.00 NIST
Ip 1466.00 NIST
Ip 1468.00 NIST
Ip 1476.00 NIST
Ip 1465.00 NIST
Ip 1473.00 NIST
Ip 1443.00 NIST
Ip 1482.00 NIST
Ip 1458.00 NIST
Ip Outlier 1426.00 NIST
Ip 1473.00 NIST
Ip 1481.00 NIST
Ip 1473.00 NIST
Ip 1460.00 NIST
Ip 1470.00 NIST
Ip 1468.00 NIST
Ip 1476.00 NIST
Ip 1458.00 NIST
Tboil 489.00 K Relay (1.0) Calculated Property
Tfus 280.62 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [221.28; 635.76] 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-1.76320e+02
Coefficient B1.91208e+00
Coefficient C-1.88280e-03
Coefficient D7.82800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 221.28 J/mol×K 273.00 Calculated Property
Cp,gas 299.14 J/mol×K 353.78 Calculated Property
Cp,gas 363.28 J/mol×K 434.56 Calculated Property
Cp,gas 416.16 J/mol×K 515.33 Calculated Property
Cp,gas 460.26 J/mol×K 596.11 Calculated Property
Cp,gas 498.06 J/mol×K 676.89 Calculated Property
Cp,gas 532.04 J/mol×K 757.67 Calculated Property
Cp,gas 564.66 J/mol×K 838.44 Calculated Property
Cp,gas 598.41 J/mol×K 919.22 Calculated Property
Cp,gas 635.76 J/mol×K 1000.00 Calculated Property

Similar Compounds

«beta»-Fenchyl acetate, exo-. «alpha»-Isofenchyl acetate. endo-Fenchyl acetate. exo-Fenchyl acetate. exo-Isocamphanyl acetate. endo-Isocamphanyl acetate. Juniperol acetate. Androstan-17-ol, acetate, (5«alpha»,17«beta»)-. Longiborneol acetate. Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1S-endo)-. Bornyl acetate. Isobornyl acetate. Acetic acid, 1,7,7-trimethyl-bicyclo[2.2.1]hept-2-yl ester. Isofenchyl acetate. Copabornyl acetate.

Find more compounds similar to Fenchyl acetate.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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