Chemical Properties of Bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-, (1«alpha»,2«beta»,5«alpha»)- (CAS 15358-88-0)

Bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-, (1«alpha»,2«beta»,5«alpha»)-

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InChI
InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-8H,4-5H2,1-3H3
InChI Key
MQPHVIPKLRXGDJ-UHFFFAOYSA-N
Formula
C10H16O
SMILES
CC1C(=O)CC2CC1C2(C)C
Molecular Weight1
152.23
CAS
15358-88-0
Other Names
  • 3-Pinanone, cis
  • Isocamphopinone
  • Isopinocamphon
  • Isopinocamphone
  • 2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one, (1«alpha»,2«beta»,5«alpha»)-
  • Pinocamphone, cis-
  • cis-Pinocamphone
  • cis-pinocamphone (isopinocamphone)
  • (1«alpha»,2«beta»,5«alpha»)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
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Physical Properties

Property Value Unit Source
Δf -0.78 kJ/mol Joback Calculated Property
Δfgas -273.43 kJ/mol Joback Calculated Property
Δfus 11.18 kJ/mol Joback Calculated Property
Δvap 40.33 kJ/mol Joback Calculated Property
log10WS -2.11 Crippen Calculated Property
logPoct/wat 2.258 Crippen Calculated Property
McVol 131.610 ml/mol McGowan Calculated Property
Pc 2832.35 kPa Joback Calculated Property
Inp [1134.00; 1182.40]   Show Hide
Inp 1180.00 NIST
Inp 1175.00 NIST
Inp 1173.00 NIST
Inp 1175.00 NIST
Inp 1172.00 NIST
Inp 1173.00 NIST
Inp 1173.00 NIST
Inp 1173.00 NIST
Inp 1179.00 NIST
Inp 1175.00 NIST
Inp 1162.00 NIST
Inp 1150.00 NIST
Inp 1173.00 NIST
Inp 1151.00 NIST
Inp 1151.00 NIST
Inp 1173.00 NIST
Inp 1152.00 NIST
Inp 1169.00 NIST
Inp 1147.00 NIST
Inp 1175.00 NIST
Inp 1172.00 NIST
Inp 1180.00 NIST
Inp 1146.00 NIST
Inp 1150.00 NIST
Inp 1157.00 NIST
Inp 1148.00 NIST
Inp 1168.00 NIST
Inp 1182.40 NIST
Inp 1175.00 NIST
Inp 1157.00 NIST
Inp 1176.00 NIST
Inp 1160.00 NIST
Inp 1175.00 NIST
Inp 1173.00 NIST
Inp 1162.00 NIST
Inp Outlier 1134.00 NIST
Inp 1148.00 NIST
Inp 1175.00 NIST
Inp 1171.00 NIST
Inp 1154.00 NIST
Inp 1149.00 NIST
Inp 1179.00 NIST
Inp 1173.00 NIST
Inp 1176.00 NIST
Inp 1172.00 NIST
Inp 1173.00 NIST
Inp 1171.00 NIST
Inp 1175.00 NIST
Inp 1173.00 NIST
Inp 1171.00 NIST
Inp 1175.00 NIST
Inp 1175.00 NIST
Inp 1160.00 NIST
Inp 1173.00 NIST
Inp 1173.00 NIST
Inp 1174.50 NIST
Inp 1152.00 NIST
Inp 1155.00 NIST
Inp 1160.00 NIST
Inp 1157.00 NIST
Inp 1180.00 NIST
Inp 1173.00 NIST
I [1511.00; 1566.00]   Show Hide
I 1511.00 NIST
I 1551.00 NIST
I 1530.00 NIST
I 1538.00 NIST
I 1536.00 NIST
I 1553.00 NIST
I 1520.00 NIST
I 1562.00 NIST
I 1562.00 NIST
I 1562.00 NIST
I 1545.00 NIST
I 1562.00 NIST
I 1562.00 NIST
I 1562.00 NIST
I 1562.00 NIST
I 1562.00 NIST
I 1566.00 NIST
I 1537.00 NIST
I 1520.00 NIST
I 1511.00 NIST
Tboil 504.67 K Joback Calculated Property
Tc 727.60 K Joback Calculated Property
Tfus 318.46 K Joback Calculated Property
Vc 0.504 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [324.94; 422.45] J/mol×K [504.67; 727.60] Show Hide
Cp,gas 324.94 J/mol×K 504.67 Joback Calculated Property
Cp,gas 343.76 J/mol×K 541.83 Joback Calculated Property
Cp,gas 361.40 J/mol×K 578.98 Joback Calculated Property
Cp,gas 377.96 J/mol×K 616.14 Joback Calculated Property
Cp,gas 393.57 J/mol×K 653.29 Joback Calculated Property
Cp,gas 408.36 J/mol×K 690.45 Joback Calculated Property
Cp,gas 422.45 J/mol×K 727.60 Joback Calculated Property

Similar Compounds

S-pinocamphone. Bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-, (1«alpha»,2«alpha»,5«alpha»)-. pinocamphone isomer (T). [1S-(1«alpha»,2«beta»,5«alpha»)]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one. (Z)-Pinocamphone. Bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-. cis-Pinocamphone. [1R-(1«alpha»,2«beta»,5«alpha»)]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one. (E)-Pinanone. Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-(2-methylpropyl)-. verbanone. endo-1-bourbonanone. Norbourbonone. 11-Norbourbonan-1-one. Bicyclo[3.1.1]heptan-2-one, 3,6,6-trimethyl-.

Find more compounds similar to Bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-, (1«alpha»,2«beta»,5«alpha»)-.

Sources

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