Chemical Properties of Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl- (CAS 80-57-9)

Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-

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InChI
InChI=1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3
InChI Key
DCSCXTJOXBUFGB-UHFFFAOYSA-N
Formula
C10H14O
SMILES
CC1=CC(=O)C2CC1C2(C)C
Molecular Weight1
150.22
CAS
80-57-9
Other Names
  • 2-Pinen-4-one
  • Berbenone
  • Verbenone
  • 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one
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Physical Properties

Property Value Unit Source
Δf 27.26 kJ/mol Joback Calculated Property
Δfgas -206.78 kJ/mol Joback Calculated Property
Δfus 10.94 kJ/mol Joback Calculated Property
Δvap 41.59 kJ/mol Joback Calculated Property
log10WS -2.21 Crippen Calculated Property
logPoct/wat 2.178 Crippen Calculated Property
McVol 127.310 ml/mol McGowan Calculated Property
Pc 3002.44 kPa Joback Calculated Property
Inp [1164.00; 1245.00]   Show Hide
Inp 1191.00 NIST
Inp 1190.90 NIST
Inp 1202.00 NIST
Inp 1206.00 NIST
Inp 1207.00 NIST
Inp 1207.00 NIST
Inp 1205.00 NIST
Inp 1204.00 NIST
Inp 1207.00 NIST
Inp 1209.00 NIST
Inp 1197.00 NIST
Inp 1195.00 NIST
Inp 1184.00 NIST
Inp 1206.00 NIST
Inp 1189.00 NIST
Inp Outlier 1167.00 NIST
Inp 1201.00 NIST
Inp 1204.00 NIST
Inp 1204.00 NIST
Inp 1204.00 NIST
Inp 1204.00 NIST
Inp 1214.00 NIST
Inp 1204.00 NIST
Inp 1173.00 NIST
Inp 1188.00 NIST
Inp 1204.00 NIST
Inp 1205.00 NIST
Inp 1198.00 NIST
Inp 1185.00 NIST
Inp 1205.00 NIST
Inp 1203.00 NIST
Inp 1209.00 NIST
Inp 1204.00 NIST
Inp 1196.00 NIST
Inp 1206.00 NIST
Inp 1183.00 NIST
Inp 1205.00 NIST
Inp 1204.00 NIST
Inp 1206.00 NIST
Inp 1178.00 NIST
Inp 1205.00 NIST
Inp 1202.00 NIST
Inp 1202.00 NIST
Inp 1180.00 NIST
Inp 1212.00 NIST
Inp 1176.00 NIST
Inp 1205.00 NIST
Inp 1205.00 NIST
Inp 1223.00 NIST
Inp 1206.00 NIST
Inp 1184.00 NIST
Inp 1182.00 NIST
Inp 1204.00 NIST
Inp 1205.00 NIST
Inp 1200.00 NIST
Inp 1176.00 NIST
Inp 1177.00 NIST
Inp 1206.00 NIST
Inp 1207.00 NIST
Inp 1206.00 NIST
Inp 1201.00 NIST
Inp 1209.00 NIST
Inp 1188.00 NIST
Inp 1200.00 NIST
Inp 1219.00 NIST
Inp 1205.00 NIST
Inp 1206.00 NIST
Inp 1218.00 NIST
Inp 1206.00 NIST
Inp 1208.00 NIST
Inp 1206.00 NIST
Inp 1205.00 NIST
Inp 1204.00 NIST
Inp 1206.00 NIST
Inp 1205.00 NIST
Inp 1212.00 NIST
Inp 1183.00 NIST
Inp 1194.90 NIST
Inp 1184.00 NIST
Inp 1220.92 NIST
Inp 1205.00 NIST
Inp 1184.00 NIST
Inp 1177.00 NIST
Inp 1181.00 NIST
Inp 1179.00 NIST
Inp 1210.00 NIST
Inp 1194.00 NIST
Inp 1196.00 NIST
Inp 1195.00 NIST
Inp 1204.00 NIST
Inp 1205.00 NIST
Inp 1184.00 NIST
Inp 1206.00 NIST
Inp 1192.00 NIST
Inp 1205.00 NIST
Inp 1210.00 NIST
Inp 1211.00 NIST
Inp 1213.00 NIST
Inp 1216.00 NIST
Inp 1208.00 NIST
Inp 1214.00 NIST
Inp 1210.00 NIST
Inp 1205.00 NIST
Inp 1205.00 NIST
Inp 1188.00 NIST
Inp 1175.00 NIST
Inp 1216.00 NIST
Inp 1211.00 NIST
Inp 1174.00 NIST
Inp 1204.00 NIST
Inp 1217.00 NIST
Inp 1200.00 NIST
Inp 1209.00 NIST
Inp Outlier 1168.00 NIST
Inp 1207.00 NIST
Inp 1208.00 NIST
Inp 1208.00 NIST
Inp 1200.00 NIST
Inp 1208.00 NIST
Inp 1204.00 NIST
Inp 1206.00 NIST
Inp 1184.00 NIST
Inp 1177.00 NIST
Inp 1204.00 NIST
Inp 1203.00 NIST
Inp 1184.00 NIST
Inp 1216.00 NIST
Inp 1204.00 NIST
Inp Outlier 1169.00 NIST
Inp 1204.00 NIST
Inp 1176.00 NIST
Inp 1200.00 NIST
Inp 1207.00 NIST
Inp 1190.00 NIST
Inp 1184.00 NIST
Inp 1205.00 NIST
Inp 1177.00 NIST
Inp 1205.00 NIST
Inp 1206.00 NIST
Inp 1180.00 NIST
Inp 1183.00 NIST
Inp 1183.00 NIST
Inp 1207.00 NIST
Inp 1208.00 NIST
Inp 1182.00 NIST
Inp 1210.00 NIST
Inp 1205.00 NIST
Inp Outlier 1170.00 NIST
Inp 1206.00 NIST
Inp 1204.00 NIST
Inp 1203.00 NIST
Inp 1209.00 NIST
Inp 1193.00 NIST
Inp 1185.00 NIST
Inp 1204.00 NIST
Inp 1208.00 NIST
Inp Outlier 1170.00 NIST
Inp 1217.00 NIST
Inp 1217.00 NIST
Inp 1211.00 NIST
Inp 1205.00 NIST
Inp 1204.00 NIST
Inp 1195.00 NIST
Inp 1186.00 NIST
Inp 1222.00 NIST
Inp 1209.00 NIST
Inp 1206.00 NIST
Inp 1197.00 NIST
Inp 1189.00 NIST
Inp Outlier 1233.00 NIST
Inp 1184.00 NIST
Inp 1204.00 NIST
Inp 1207.00 NIST
Inp 1203.00 NIST
Inp 1207.00 NIST
Inp 1192.00 NIST
Inp 1204.00 NIST
Inp 1206.00 NIST
Inp 1186.00 NIST
Inp 1205.00 NIST
Inp 1191.00 NIST
Inp 1195.00 NIST
Inp 1203.00 NIST
Inp 1176.00 NIST
Inp 1208.00 NIST
Inp 1205.00 NIST
Inp 1205.00 NIST
Inp 1225.00 NIST
Inp 1200.00 NIST
Inp 1174.00 NIST
Inp 1207.00 NIST
Inp 1205.00 NIST
Inp 1186.00 NIST
Inp 1226.00 NIST
Inp 1189.00 NIST
Inp 1197.00 NIST
Inp 1205.00 NIST
Inp 1211.00 NIST
Inp 1199.00 NIST
Inp 1175.00 NIST
Inp 1178.00 NIST
Inp Outlier 1164.00 NIST
Inp 1178.00 NIST
Inp 1208.00 NIST
Inp 1218.00 NIST
Inp 1204.00 NIST
Inp 1207.00 NIST
Inp 1208.00 NIST
Inp 1218.00 NIST
Inp 1218.00 NIST
Inp 1205.00 NIST
Inp 1204.00 NIST
Inp 1203.00 NIST
Inp 1205.00 NIST
Inp 1208.00 NIST
Inp 1204.00 NIST
Inp 1204.00 NIST
Inp 1221.00 NIST
Inp 1208.00 NIST
Inp 1207.00 NIST
Inp 1207.00 NIST
Inp 1205.00 NIST
Inp 1193.00 NIST
Inp 1204.00 NIST
Inp 1208.00 NIST
Inp 1205.00 NIST
Inp 1207.00 NIST
Inp 1209.00 NIST
Inp Outlier 1245.00 NIST
Inp Outlier 1245.00 NIST
Inp 1205.00 NIST
Inp 1205.00 NIST
Inp 1199.00 NIST
Inp 1205.00 NIST
Inp 1221.00 NIST
Inp 1189.00 NIST
Inp 1205.00 NIST
Inp 1203.00 NIST
Inp 1175.00 NIST
Inp 1221.00 NIST
Inp Outlier 1245.00 NIST
Inp 1195.00 NIST
Inp 1221.00 NIST
Inp Outlier 1245.00 NIST
Inp 1217.00 NIST
Inp 1205.00 NIST
Inp Outlier 1164.00 NIST
Inp 1196.00 NIST
Inp Outlier 1164.00 NIST
Inp 1180.00 NIST
Inp Outlier 1164.00 NIST
Inp Outlier 1236.00 NIST
Inp 1183.00 NIST
Inp 1191.00 NIST
Inp Outlier 1164.00 NIST
Inp 1195.00 NIST
Inp 1185.00 NIST
Inp 1204.00 NIST
Inp 1206.00 NIST
Inp 1207.00 NIST
Inp 1173.00 NIST
Inp 1185.00 NIST
Inp 1191.00 NIST
I [1676.00; 1742.00]   Show Hide
I 1730.00 NIST
I 1697.00 NIST
I 1699.00 NIST
I 1710.00 NIST
I 1742.00 NIST
I 1707.00 NIST
I 1723.00 NIST
I 1696.00 NIST
I Outlier 1679.00 NIST
I 1698.00 NIST
I 1715.00 NIST
I 1701.00 NIST
I 1710.00 NIST
I 1710.00 NIST
I 1709.00 NIST
I 1730.00 NIST
I 1729.00 NIST
I 1730.00 NIST
I 1709.00 NIST
I 1712.00 NIST
I 1695.00 NIST
I 1729.00 NIST
I 1733.00 NIST
I 1730.00 NIST
I 1716.00 NIST
I 1712.00 NIST
I 1696.00 NIST
I 1729.00 NIST
I 1698.00 NIST
I 1722.00 NIST
I 1701.00 NIST
I 1701.00 NIST
I 1730.00 NIST
I 1733.00 NIST
I 1735.00 NIST
I Outlier 1676.00 NIST
I 1695.00 NIST
I 1731.00 NIST
I 1738.00 NIST
I 1707.00 NIST
I 1701.00 NIST
I 1725.00 NIST
I 1726.00 NIST
I 1726.00 NIST
I 1725.00 NIST
I 1696.00 NIST
I 1725.00 NIST
I 1725.00 NIST
I 1725.00 NIST
I 1725.00 NIST
I 1725.00 NIST
I 1725.00 NIST
I 1721.00 NIST
I 1704.00 NIST
I 1733.00 NIST
I 1725.00 NIST
I 1725.00 NIST
I 1714.00 NIST
I 1725.00 NIST
I 1724.00 NIST
I 1725.00 NIST
I 1725.00 NIST
I 1726.00 NIST
I 1730.00 NIST
I 1725.00 NIST
I 1725.00 NIST
I 1725.00 NIST
I 1725.00 NIST
I 1725.00 NIST
I 1725.00 NIST
I 1725.00 NIST
I 1725.00 NIST
I 1725.00 NIST
I 1725.00 NIST
I 1725.00 NIST
I 1725.00 NIST
I 1735.00 NIST
I 1725.00 NIST
I 1726.00 NIST
I 1716.00 NIST
I 1724.00 NIST
I 1730.00 NIST
I 1730.00 NIST
I 1699.00 NIST
I 1696.00 NIST
I 1710.00 NIST
Tboil 500.70 K NIST
Tc 740.08 K Joback Calculated Property
Tfus 335.98 K Joback Calculated Property
Vc 0.491 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [307.39; 393.70] J/mol×K [513.48; 740.08] Show Hide
Cp,gas 307.39 J/mol×K 513.48 Joback Calculated Property
Cp,gas 324.08 J/mol×K 551.25 Joback Calculated Property
Cp,gas 339.67 J/mol×K 589.01 Joback Calculated Property
Cp,gas 354.29 J/mol×K 626.78 Joback Calculated Property
Cp,gas 368.08 J/mol×K 664.55 Joback Calculated Property
Cp,gas 381.17 J/mol×K 702.31 Joback Calculated Property
Cp,gas 393.70 J/mol×K 740.08 Joback Calculated Property

Similar Compounds

D-Verbenone. Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-, (1S)-. Longiverbenone. «alpha»-Longipinen-2-one (Vulgarone B). Mustakone. 8-Isopropyl-1,5-dimethyltricyclo[4.4.0.02,7]dec-4-en-3-one. [1S]-4,6,6-Trimethyl-bicyclo[3,1,1]hept-3-en-2-one. 24-Norursa-3,12-dien-11-one. 2-Cyclohexen-1-one, 3,5,5-trimethyl-4-(3-oxobutyl)-. Bicyclo[3.1.1]hept-2-en-6-one, 2,7,7-trimethyl-. 2H-Cyclopropa[a]naphthalen-2-one, 1,1a,4,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, (1a«alpha»,7«alpha»,7a«alpha»,7b«alpha»)-. Progesterone. 8-Ketoylangenal. 8-Ketocopaenal. Eremophyla-9,11-dien-8-one.

Find more compounds similar to Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-.

Sources

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