Chemical Properties of Bicyclo[3.1.1]hept-2-ene-2-carboxaldehyde, 6,6-dimethyl- (CAS 564-94-3)

Bicyclo[3.1.1]hept-2-ene-2-carboxaldehyde, 6,6-dimethyl-

InChI
InChI=1S/C10H14O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,6,8-9H,4-5H2,1-2H3
InChI Key
KMRMUZKLFIEVAO-UHFFFAOYSA-N
Formula
C10H14O
SMILES
CC1(C)C2CC=C(C=O)C1C2
Molecular Weight1
150.22
CAS
564-94-3
Other Names
  • 2-Norpinene-2-carboxaldehyde, 6,6-dimethyl-
  • Myrtenal
  • Benihinal
  • 6,6-Dimethylbicyclo(3.1.1)hept-2-ene-2-carboxaldehyde
  • 2-Formyl-6,6-dimethylbicyclo(3.1.1)hept-2-ene
  • 6,6-Dimethyl-bicyclo[3,1,1]hept-2-ene-2-carboxaldehyde
  • 6,6-dimethyl-bicyclo[3.1.1]hept-2-ene-2-carboxaldehyde (myrtenal)
  • pin-2-ene-1-carbaldehyde
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Physical Properties

Property Value Unit Source
ΔfusH° 13.72 kJ/mol Joback Calculated Property
ΔvapH° 58.30 kJ/mol Relay (1.0) Calculated Property
IE 9.36 eV Relay (1.0) Calculated Property
logPoct/wat 2.178 Crippen Calculated Property
McVol 127.310 ml/mol McGowan Calculated Property
Inp [1151.00; 1223.00]   Show Hide
Inp 1190.00 NIST
Inp 1170.25 NIST
Inp 1175.32 NIST
Inp 1180.54 NIST
Inp 1185.89 NIST
Inp 1191.36 NIST
Inp 1196.22 NIST
Inp Outlier 1151.46 NIST
Inp 1155.93 NIST
Inp 1160.56 NIST
Inp 1165.32 NIST
Inp 1181.00 NIST
Inp 1181.30 NIST
Inp 1195.00 NIST
Inp 1188.00 NIST
Inp 1196.00 NIST
Inp 1168.00 NIST
Inp 1196.00 NIST
Inp 1197.00 NIST
Inp 1196.00 NIST
Inp 1173.00 NIST
Inp 1181.00 NIST
Inp 1192.00 NIST
Inp Outlier 1215.00 NIST
Inp 1176.00 NIST
Inp 1173.00 NIST
Inp 1173.00 NIST
Inp 1194.00 NIST
Inp 1169.00 NIST
Inp 1155.00 NIST
Inp 1169.00 NIST
Inp 1191.00 NIST
Inp 1193.00 NIST
Inp 1193.00 NIST
Inp 1193.00 NIST
Inp 1169.00 NIST
Inp Outlier 1151.00 NIST
Inp 1189.00 NIST
Inp 1190.00 NIST
Inp 1190.00 NIST
Inp 1171.00 NIST
Inp 1168.00 NIST
Inp Outlier 1223.00 NIST
Inp 1187.00 NIST
Inp 1175.00 NIST
Inp 1193.00 NIST
Inp 1176.00 NIST
Inp 1193.00 NIST
Inp 1193.00 NIST
Inp 1203.60 NIST
Inp 1165.00 NIST
Inp 1169.00 NIST
Inp 1193.00 NIST
Inp 1170.00 NIST
Inp 1176.00 NIST
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Inp 1165.00 NIST
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Inp 1194.00 NIST
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Inp 1196.00 NIST
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Inp 1193.00 NIST
Inp 1193.00 NIST
Inp 1193.00 NIST
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Inp 1191.00 NIST
Inp 1166.00 NIST
Inp 1176.00 NIST
Inp 1165.00 NIST
Inp 1168.00 NIST
Inp 1202.90 NIST
Inp Outlier 1216.00 NIST
Inp 1194.00 NIST
Inp 1196.00 NIST
Inp 1195.00 NIST
Inp 1171.00 NIST
Inp 1204.00 NIST
Inp 1172.00 NIST
Inp 1163.00 NIST
Inp 1193.00 NIST
Inp 1172.00 NIST
Inp 1171.00 NIST
Inp 1165.00 NIST
Inp 1200.00 NIST
Inp 1163.00 NIST
Inp 1190.00 NIST
Inp 1189.00 NIST
Inp 1172.00 NIST
Inp 1173.00 NIST
Inp 1204.00 NIST
Inp 1206.00 NIST
Inp 1192.00 NIST
Inp 1174.00 NIST
Inp 1188.00 NIST
Inp 1172.00 NIST
Inp 1158.00 NIST
Inp 1191.00 NIST
Inp 1167.00 NIST
Inp 1172.00 NIST
Inp 1196.00 NIST
Inp 1190.00 NIST
Inp 1161.00 NIST
Inp 1165.00 NIST
Inp 1172.00 NIST
Inp 1165.00 NIST
Inp 1168.00 NIST
Inp 1196.00 NIST
Inp 1171.00 NIST
Inp 1198.00 NIST
Inp 1171.00 NIST
Inp 1196.00 NIST
Inp 1193.00 NIST
Inp 1161.00 NIST
Inp 1203.00 NIST
Inp 1193.00 NIST
Inp 1165.00 NIST
Inp 1193.00 NIST
Inp 1178.00 NIST
Inp 1184.00 NIST
Inp 1198.00 NIST
Inp 1193.00 NIST
Inp 1194.00 NIST
Inp 1159.00 NIST
Inp 1202.00 NIST
Inp 1194.00 NIST
Inp 1210.00 NIST
Inp 1195.00 NIST
Inp 1165.00 NIST
Inp 1190.00 NIST
Inp 1181.00 NIST
Inp 1202.00 NIST
Inp 1195.00 NIST
Inp 1174.00 NIST
Inp 1209.00 NIST
Inp 1209.00 NIST
Inp 1173.00 NIST
Inp 1178.00 NIST
Inp 1180.00 NIST
Inp 1206.00 NIST
Inp 1174.00 NIST
Inp 1168.00 NIST
Inp 1192.00 NIST
Inp 1166.00 NIST
Inp 1193.00 NIST
Inp 1174.00 NIST
Inp 1184.00 NIST
Inp 1191.00 NIST
Inp 1166.00 NIST
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Inp 1176.00 NIST
Inp 1196.00 NIST
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Inp 1193.00 NIST
Inp 1194.00 NIST
Inp 1193.00 NIST
Inp 1169.00 NIST
Inp 1208.00 NIST
Inp 1193.00 NIST
Inp 1190.00 NIST
Inp 1187.00 NIST
Inp 1194.00 NIST
Inp 1166.00 NIST
Inp 1162.00 NIST
Inp 1166.00 NIST
Inp 1197.00 NIST
Inp 1165.00 NIST
Inp 1194.00 NIST
Inp 1175.00 NIST
Inp 1173.00 NIST
Inp 1173.00 NIST
Inp 1193.00 NIST
Inp 1165.00 NIST
Inp 1194.00 NIST
Inp 1170.00 NIST
Inp 1175.00 NIST
Inp 1193.00 NIST
Inp 1194.00 NIST
Inp 1176.00 NIST
Inp 1165.00 NIST
Inp 1189.00 NIST
Inp 1171.00 NIST
Inp 1169.00 NIST
Inp Outlier 1153.00 NIST
Inp 1163.00 NIST
Inp 1197.00 NIST
Inp 1192.00 NIST
Inp 1194.00 NIST
Inp 1193.00 NIST
Inp 1204.00 NIST
Inp 1193.00 NIST
Inp Outlier 1153.00 NIST
Inp 1191.00 NIST
Inp 1197.00 NIST
Inp 1195.00 NIST
Inp 1193.00 NIST
Inp 1206.00 NIST
Inp Outlier 1153.00 NIST
Inp 1193.00 NIST
Inp 1194.00 NIST
Inp 1197.00 NIST
Inp 1196.00 NIST
Inp 1196.00 NIST
Inp 1197.00 NIST
Inp 1185.00 NIST
Inp Outlier 1153.00 NIST
Inp 1185.00 NIST
Inp 1196.00 NIST
Inp 1197.00 NIST
Inp 1193.00 NIST
Inp 1184.00 NIST
Inp 1192.00 NIST
Inp 1197.00 NIST
Inp Outlier 1153.00 NIST
Inp 1193.00 NIST
Inp 1180.00 NIST
Inp 1193.00 NIST
Inp 1190.00 NIST
Inp Outlier 1153.00 NIST
Inp 1182.00 NIST
Inp 1184.00 NIST
Inp Outlier 1220.00 NIST
Inp 1171.00 NIST
Inp 1173.00 NIST
Inp Outlier 1153.00 NIST
Inp 1193.00 NIST
Inp 1174.00 NIST
Inp 1175.00 NIST
Inp Outlier 1153.00 NIST
Inp 1169.00 NIST
Inp 1173.00 NIST
Inp 1172.00 NIST
Inp 1165.00 NIST
Inp 1174.00 NIST
Inp 1167.00 NIST
Inp 1171.00 NIST
Inp 1193.00 NIST
Inp 1194.00 NIST
Inp 1195.00 NIST
Inp 1178.00 NIST
Inp 1192.00 NIST
Inp 1191.00 NIST
Inp 1196.00 NIST
Inp 1169.00 NIST
Inp 1187.00 NIST
Inp 1170.00 NIST
Inp 1188.00 NIST
Inp 1166.00 NIST
Ip [1596.00; 1667.00]   Show Hide
Ip 1612.00 NIST
Ip 1619.00 NIST
Ip 1627.00 NIST
Ip 1634.00 NIST
Ip 1626.00 NIST
Ip 1622.00 NIST
Ip Outlier 1602.00 NIST
Ip 1621.00 NIST
Ip 1629.00 NIST
Ip 1610.00 NIST
Ip Outlier 1596.00 NIST
Ip 1632.00 NIST
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Ip 1632.00 NIST
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Ip 1612.00 NIST
Ip 1644.00 NIST
Ip 1638.00 NIST
Ip 1636.00 NIST
Ip 1623.00 NIST
Ip Outlier 1602.00 NIST
Ip 1626.00 NIST
Ip 1622.00 NIST
Ip 1627.00 NIST
Ip 1635.00 NIST
Ip Outlier 1597.00 NIST
Ip 1665.00 NIST
Ip Outlier 1602.00 NIST
Ip Outlier 1601.00 NIST
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Ip 1648.00 NIST
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Ip 1647.00 NIST
Ip 1647.00 NIST
Ip 1647.00 NIST
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Ip 1647.00 NIST
Ip 1647.00 NIST
Ip Outlier 1603.00 NIST
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Ip 1648.00 NIST
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Ip 1648.00 NIST
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Ip 1648.00 NIST
Ip 1648.00 NIST
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Ip 1648.00 NIST
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Ip 1648.00 NIST
Ip 1648.00 NIST
Ip 1648.00 NIST
Ip 1648.00 NIST
Ip 1648.00 NIST
Ip 1648.00 NIST
Ip 1648.00 NIST
Ip Outlier 1667.00 NIST
Ip 1648.00 NIST
Ip 1648.00 NIST
Ip 1648.00 NIST
Ip 1648.00 NIST
Ip 1648.00 NIST
Ip 1648.00 NIST
Ip 1648.00 NIST
Ip 1648.00 NIST
Ip 1648.00 NIST
Ip 1648.00 NIST
Ip 1648.00 NIST
Ip 1626.00 NIST
Ip 1645.00 NIST
Ip Outlier 1603.00 NIST
Ip 1624.00 NIST
Ip 1620.00 NIST
Ip 1623.00 NIST
Ip 1635.00 NIST
Ip 1648.00 NIST
Ip 1646.00 NIST
Ip 1647.00 NIST
Ip 1619.00 NIST
Ip 1627.00 NIST
Ip Outlier 1603.00 NIST
Ip Outlier 1602.00 NIST
Ip 1632.00 NIST
Ip 1628.00 NIST
Tboil 493.70 K NIST
Tfus 284.35 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, 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 [165.17; 466.92] 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-1.22380e+02
Coefficient B1.37044e+00
Coefficient C-1.30464e-03
Coefficient D5.23500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 165.17 J/mol×K 273.00 Calculated Property
Cp,gas 222.34 J/mol×K 353.78 Calculated Property
Cp,gas 269.74 J/mol×K 434.56 Calculated Property
Cp,gas 309.03 J/mol×K 515.33 Calculated Property
Cp,gas 341.84 J/mol×K 596.11 Calculated Property
Cp,gas 369.85 J/mol×K 676.89 Calculated Property
Cp,gas 394.71 J/mol×K 757.67 Calculated Property
Cp,gas 418.07 J/mol×K 838.44 Calculated Property
Cp,gas 441.59 J/mol×K 919.22 Calculated Property
Cp,gas 466.92 J/mol×K 1000.00 Calculated Property

Similar Compounds

Bicyclo[3.1.1]hept-2-ene-2-carboxaldehyde, 6,6-dimethyl-, (1S)-. (1R)-(-)-Myrtenal. Ylangenal. (E)-trans-.alpha.-bergamota-2,10-dien-12-al. Selina-3,11-dien-14-al. 1,7-di-epi-«alpha»-Cedrenal. «alpha»-Funebren-15-al. «alpha»-cedrenal. (+)-Barbatenal. 8-Ketoylangenal. 8-Ketocopaenal. «beta»-Betulenal. (1aR,4aS,8aS)-4a,8,8-Trimethyl-1,1a,4,4a,5,6,7,8-octahydrocyclopropa[d]naphthalene-2-carbaldehyde. 3-((1S,5S,6R)-2,6-Dimethylbicyclo[3.1.1]hept-2-en-6-yl)propanal. 2-((2R,4aR,8aR)-4a,8-Dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl)acrylaldehyde.

Find more compounds similar to Bicyclo[3.1.1]hept-2-ene-2-carboxaldehyde, 6,6-dimethyl-.

Sources

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