Chemical Properties of Pinocarvone (CAS 30460-92-5)

Pinocarvone

InChI
InChI=1S/C10H14O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-8H,1,4-5H2,2-3H3
InChI Key
TZDMGBLPGZXHJI-UHFFFAOYSA-N
Formula
C10H14O
SMILES
C=C1C(=O)CC2CC1C2(C)C
Molecular Weight1
150.22
CAS
30460-92-5
Other Names
  • (±)-2(10)-pinen-3-one
  • 2(10)-Pinen-3-one
  • 2(10)-Pinen-3-one, (.+/-.)-
  • 3-Nopinenone
  • 6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptan-3-one
  • Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-methylene-
  • «alpha»-Pinocarvone
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Physical Properties

Property Value Unit Source
ΔfusH° 8.95 kJ/mol Joback Calculated Property
ΔvapH° 57.78 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 2.178 Crippen Calculated Property
McVol 127.310 ml/mol McGowan Calculated Property
Inp [1121.00; 1208.00]   Show Hide
Inp 1181.00 NIST
Inp 1160.00 NIST
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Inp Outlier 1124.00 NIST
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Inp Outlier 1124.00 NIST
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Inp 1142.00 NIST
Inp Outlier 1124.00 NIST
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Inp 1181.00 NIST
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Inp 1139.00 NIST
Inp Outlier 1127.00 NIST
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Inp 1130.00 NIST
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Inp 1160.00 NIST
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Inp 1163.00 NIST
Inp 1159.00 NIST
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Inp 1138.00 NIST
Inp 1138.00 NIST
Inp Outlier 1121.00 NIST
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Inp 1175.00 NIST
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Inp 1162.00 NIST
Inp 1170.00 NIST
Inp Outlier 1121.00 NIST
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Inp 1160.00 NIST
Inp 1173.00 NIST
Inp Outlier 1208.00 NIST
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Inp Outlier 1121.00 NIST
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Inp 1156.00 NIST
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Inp Outlier 1121.00 NIST
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Inp Outlier 1121.00 NIST
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Inp Outlier 1121.00 NIST
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Inp Outlier 1121.00 NIST
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Inp 1150.00 NIST
Inp 1164.20 NIST
Ip [1539.00; 1600.00]   Show Hide
Ip 1580.00 NIST
Ip Outlier 1539.00 NIST
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Ip Outlier 1546.00 NIST
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Tboil 476.55 K Relay (1.0) Calculated Property
Tfus 335.90 K Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [167.06; 477.70] 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-9.71400e+01
Coefficient B1.22564e+00
Coefficient C-1.05500e-03
Coefficient D4.04200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 167.06 J/mol×K 273.00 Calculated Property
Cp,gas 222.32 J/mol×K 353.78 Calculated Property
Cp,gas 269.41 J/mol×K 434.56 Calculated Property
Cp,gas 309.62 J/mol×K 515.33 Calculated Property
Cp,gas 344.21 J/mol×K 596.11 Calculated Property
Cp,gas 374.46 J/mol×K 676.89 Calculated Property
Cp,gas 401.66 J/mol×K 757.67 Calculated Property
Cp,gas 427.08 J/mol×K 838.44 Calculated Property
Cp,gas 452.00 J/mol×K 919.22 Calculated Property
Cp,gas 477.70 J/mol×K 1000.00 Calculated Property

Similar Compounds

Longipinocarvone. (1S,5R,6S,7R,10R)-Lemnalone. (-)-Gymnomitr-3(15)-en-4-one. Caryophylla-3(15),7(14)-dien-6-one. Caryophylla-2(12),6(13)-dien-5-one. caryophylla-4(12),8(13)-dien-5-one. 15-nor-Prezizaan-7-one. 1,1,3a-Trimethyl-6-methylene-5-oxo-1,1a,2,3,3a,3b,4,-5,6,6b-decahydrocyclopenta[2,3]cyclopropa[1,2-a]cyclopropa[c]benzene. 4-Desmethyl caryophyl-8(14)-en-5-one. 4-Desmethyl caryophylla-8(14)-en-5-one. 4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undecan-5-one. 13-nor-Opposit-4(15)-en-11-one. 1,10-dihydronootkatone. Camphenone, 6-. Cyclohexanone, 2-methylene-5-(1-methylethyl)-.

Find more compounds similar to Pinocarvone.

Sources

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