Chemical Properties of 3-Oxatricyclo[4.1.1.0(2,4)]octane, 2,7,7-trimethyl- (CAS 1686-14-2)

3-Oxatricyclo[4.1.1.0(2,4)]octane, 2,7,7-trimethyl-

InChI
InChI=1S/C10H16O/c1-9(2)6-4-7(9)10(3)8(5-6)11-10/h6-8H,4-5H2,1-3H3
InChI Key
NQFUSWIGRKFAHK-UHFFFAOYSA-N
Formula
C10H16O
SMILES
CC1(C)C2CC3OC3(C)C1C2
Molecular Weight1
152.23
CAS
1686-14-2
Other Names
  • 2,7,7-Trimethyl-3-oxatricyclo[4.1.1.02,4]octane
  • Pinane, 2,3-epoxy-
  • «alpha»-Pinene epoxide
  • «alpha»-Pinene oxide
  • 2,3-Epoxypinane
  • «alpha»-Pinene 2,3-oxide
  • «alpha»-Pinene epoxide (Isomer 1)
  • «alpha»-Pinene epoxide (Isomer 2)
  • «alpha»-Pinene oxyde
  • 3-Oxatricyclo[4.1.1.02,4]octane, 2,7,7-trimethyl-
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Physical Properties

Property Value Unit Source
ΔfusH° 15.69 kJ/mol Joback Calculated Property
ΔvapH° 53.60 kJ/mol NIST
logPoct/wat 2.210 Crippen Calculated Property
McVol 125.050 ml/mol McGowan Calculated Property
Inp [1060.00; 1110.00]   Show Hide
Inp 1095.00 NIST
Inp Outlier 1060.00 NIST
Inp 1085.00 NIST
Inp 1095.00 NIST
Inp Outlier 1071.00 NIST
Inp 1095.00 NIST
Inp 1095.00 NIST
Inp 1095.00 NIST
Inp 1096.00 NIST
Inp 1103.00 NIST
Inp 1085.00 NIST
Inp 1095.00 NIST
Inp 1095.00 NIST
Inp 1103.00 NIST
Inp 1093.00 NIST
Inp 1085.00 NIST
Inp 1082.00 NIST
Inp Outlier 1060.00 NIST
Inp 1090.00 NIST
Inp 1075.00 NIST
Inp 1093.00 NIST
Inp 1078.00 NIST
Inp 1086.00 NIST
Inp 1090.00 NIST
Inp 1105.00 NIST
Inp 1095.00 NIST
Inp 1099.00 NIST
Inp 1100.00 NIST
Inp 1099.00 NIST
Inp 1105.00 NIST
Inp 1094.00 NIST
Inp 1091.00 NIST
Inp 1100.00 NIST
Inp 1106.00 NIST
Inp 1100.00 NIST
Inp Outlier 1065.00 NIST
Inp 1095.00 NIST
Inp 1095.00 NIST
Inp 1095.00 NIST
Inp 1097.00 NIST
Inp 1099.00 NIST
Inp 1110.00 NIST
Inp 1099.00 NIST
Inp 1095.00 NIST
Inp 1095.00 NIST
Inp 1087.00 NIST
Inp 1100.00 NIST
Inp 1087.00 NIST
Inp 1100.00 NIST
Inp 1093.00 NIST
Inp 1094.00 NIST
Inp 1096.00 NIST
Ip [1345.00; 1384.00]   Show Hide
Ip 1384.00 NIST
Ip 1384.00 NIST
Ip 1384.00 NIST
Ip Outlier 1345.00 NIST
Ip 1384.00 NIST
Ip 1353.00 NIST
Ip 1384.00 NIST
Ip 1384.00 NIST
Ip 1384.00 NIST
Ip 1384.00 NIST
Ip 1384.00 NIST
Ip 1384.00 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, 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.

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 375.70 K 6.70 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [166.22; 520.17] 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-2.22590e+02
Coefficient B1.94396e+00
Coefficient C-2.16770e-03
Coefficient D9.66500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 166.22 J/mol×K 273.00 Calculated Property
Cp,gas 236.63 J/mol×K 353.78 Calculated Property
Cp,gas 292.14 J/mol×K 434.56 Calculated Property
Cp,gas 335.80 J/mol×K 515.33 Calculated Property
Cp,gas 370.67 J/mol×K 596.11 Calculated Property
Cp,gas 399.81 J/mol×K 676.89 Calculated Property
Cp,gas 426.27 J/mol×K 757.67 Calculated Property
Cp,gas 453.11 J/mol×K 838.44 Calculated Property
Cp,gas 483.40 J/mol×K 919.22 Calculated Property
Cp,gas 520.17 J/mol×K 1000.00 Calculated Property

Similar Compounds

LONGIPINENE EPOXIDE. Italicene epoxide. diepi-«alpha»-Cedrene epoxide. Cedrene epoxide. Di-epi-cedrenoxide. 2H-2a,7-Methanoazuleno[5,6-b]oxirene, octahydro-3,6,6,7a-tetramethyl-. Isoaromadendrene epoxide. 12-Acetoxycaryophyllene-4,5-epoxide. Calarenepoxide. Spiro[bicyclo[3.1.1]heptane-2,2'-oxirane], 6,6-dimethyl-. 2-Carene epoxyde. 2-carene epoxide. 1-Isopropyl-4-methyl-7-oxa-bicyclo[4.1.0]heptane. (1«alpha»,3«beta»,5«beta»,7«alpha»)-3,8,8-trimethyl-4-oxatricyclo[5.1.0.03,5]octane. (1«alpha»,3«alpha»,5«alpha»,7«alpha»)-3,8,8-trimethyl-4-oxatricyclo[5.1.0.03,5]octane.

Find more compounds similar to 3-Oxatricyclo[4.1.1.0(2,4)]octane, 2,7,7-trimethyl-.

Sources

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