Chemical Properties of Bicyclo[3.1.1]hept-2-en-6-one, 2,7,7-trimethyl- (CAS 473-06-3)

Bicyclo[3.1.1]hept-2-en-6-one, 2,7,7-trimethyl-

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InChI
InChI=1S/C10H14O/c1-6-4-5-7-9(11)8(6)10(7,2)3/h4,7-8H,5H2,1-3H3
InChI Key
IECBDTGWSQNQID-UHFFFAOYSA-N
Formula
C10H14O
SMILES
CC1=CCC2C(=O)C1C2(C)C
Molecular Weight1
150.22
CAS
473-06-3
Other Names
  • Chrysanthenone
  • 2-Pinen-7-one
  • Isochrysanthenone
  • Chrysantenone
  • Crysanthenone
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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 [1086.00; 1158.00]   Show Hide
Inp 1121.00 NIST
Inp 1126.00 NIST
Inp 1089.00 NIST
Inp 1103.00 NIST
Inp 1123.00 NIST
Inp 1121.00 NIST
Inp 1094.00 NIST
Inp 1099.00 NIST
Inp 1123.00 NIST
Inp 1125.00 NIST
Inp 1103.00 NIST
Inp Outlier 1088.00 NIST
Inp 1106.00 NIST
Inp 1126.00 NIST
Inp 1120.00 NIST
Inp 1092.00 NIST
Inp 1125.00 NIST
Inp 1106.00 NIST
Inp 1124.00 NIST
Inp 1123.00 NIST
Inp 1100.00 NIST
Inp 1125.00 NIST
Inp 1106.00 NIST
Inp 1106.00 NIST
Inp 1102.00 NIST
Inp 1089.00 NIST
Inp 1129.00 NIST
Inp 1128.00 NIST
Inp 1123.00 NIST
Inp Outlier 1158.00 NIST
Inp 1119.00 NIST
Inp 1120.00 NIST
Inp 1122.00 NIST
Inp 1126.00 NIST
Inp 1132.00 NIST
Inp 1101.00 NIST
Inp 1110.00 NIST
Inp 1127.00 NIST
Inp 1119.00 NIST
Inp 1119.00 NIST
Inp 1096.00 NIST
Inp 1122.00 NIST
Inp 1115.00 NIST
Inp 1105.00 NIST
Inp 1099.00 NIST
Inp 1110.00 NIST
Inp 1128.00 NIST
Inp 1122.00 NIST
Inp 1122.00 NIST
Inp 1123.00 NIST
Inp 1128.00 NIST
Inp 1123.00 NIST
Inp 1121.00 NIST
Inp 1111.00 NIST
Inp 1125.00 NIST
Inp 1131.00 NIST
Inp 1131.00 NIST
Inp 1123.00 NIST
Inp 1124.00 NIST
Inp 1121.00 NIST
Inp 1121.00 NIST
Inp 1122.00 NIST
Inp 1124.00 NIST
Inp Outlier 1087.00 NIST
Inp Outlier 1086.00 NIST
Inp 1125.00 NIST
Inp 1129.00 NIST
Inp 1123.00 NIST
Inp Outlier 1146.00 NIST
Inp 1123.00 NIST
Inp 1123.00 NIST
Inp 1111.00 NIST
Inp 1123.00 NIST
Inp 1111.00 NIST
Inp 1100.00 NIST
Inp 1099.00 NIST
Inp 1106.00 NIST
Inp 1121.00 NIST
I [1480.00; 1540.00]   Show Hide
I Outlier 1482.00 NIST
I 1489.00 NIST
I 1500.00 NIST
I Outlier 1480.00 NIST
I 1540.00 NIST
I 1504.00 NIST
I 1501.00 NIST
I 1510.00 NIST
I 1510.00 NIST
I 1522.00 NIST
I 1522.00 NIST
I 1522.00 NIST
I 1510.00 NIST
I 1522.00 NIST
I 1522.00 NIST
I 1522.00 NIST
I 1522.00 NIST
I 1522.00 NIST
I 1522.00 NIST
I 1522.00 NIST
I 1522.00 NIST
Tboil 513.48 K Joback Calculated Property
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

Filifolone. 4,7,7-Trimethylbicyclo[3.2.0]hept-3-en-6-one. «alpha»-Damascone. D-Verbenone. Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-. Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-, (1S)-. (+)-(5S,7S,10S)-Eudesma-3,11-dien-8-one. (+)-Eudesma-3,11-dien-8-one. 2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (E)-. 3-Carene, 2-acetyl-. 4,7-Dimethylbicyclo[3.2.1]oct-3-en-6-one. 8-Ketoylangenal. 8-Ketocopaenal. 8-Isopropyl-1,5-dimethyltricyclo[4.4.0.02,7]dec-4-en-3-one. Longiverbenone.

Find more compounds similar to Bicyclo[3.1.1]hept-2-en-6-one, 2,7,7-trimethyl-.

Sources

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