Chemical Properties of Bicyclo[3.1.0]hex-3-en-2-one, 4-methyl-1-(1-methylethyl)- (CAS 24545-81-1)

Bicyclo[3.1.0]hex-3-en-2-one, 4-methyl-1-(1-methylethyl)-

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InChI
InChI=1S/C10H14O/c1-6(2)10-5-8(10)7(3)4-9(10)11/h4,6,8H,5H2,1-3H3
InChI Key
LTTVJAQLCIHAFV-UHFFFAOYSA-N
Formula
C10H14O
SMILES
CC1=CC(=O)C2(C(C)C)CC12
Molecular Weight1
150.22
CAS
24545-81-1
Other Names
  • 3-Thujen-2-one
  • Umbellulon
  • Umbellulone
  • THUJEN-2-ONE
  • 1-Isopropyl-4-methylbicyclo[3.1.0]hex-3-en-2-one
  • 3-Thujene-2-one
  • Thuj-3-en-2-one
  • NSC 22046
  • Umbellunone
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Physical Properties

Property Value Unit Source
Δf 44.63 kJ/mol Joback Calculated Property
Δfgas -185.56 kJ/mol Joback Calculated Property
Δfus 8.45 kJ/mol Joback Calculated Property
Δvap 41.34 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 3055.79 kPa Joback Calculated Property
Inp [1142.00; 1187.00]   Show Hide
Inp 1160.00 NIST
Inp 1168.00 NIST
Inp 1171.00 NIST
Inp 1171.00 NIST
Inp 1146.00 NIST
Inp 1169.00 NIST
Inp 1165.00 NIST
Inp 1165.00 NIST
Inp 1184.00 NIST
Inp 1181.00 NIST
Inp 1151.00 NIST
Inp 1172.00 NIST
Inp 1173.00 NIST
Inp Outlier 1142.00 NIST
Inp 1174.30 NIST
Inp 1187.00 NIST
Inp 1171.00 NIST
Inp 1171.00 NIST
Inp 1168.00 NIST
Inp 1171.00 NIST
Inp 1177.00 NIST
Inp 1171.00 NIST
Inp 1170.00 NIST
Inp Outlier 1144.00 NIST
Inp 1161.00 NIST
Inp Outlier 1144.00 NIST
Inp 1168.00 NIST
Inp 1169.00 NIST
Inp 1169.00 NIST
Inp 1171.00 NIST
Inp 1171.00 NIST
Inp 1159.00 NIST
Inp 1171.00 NIST
Inp 1152.00 NIST
Inp 1174.30 NIST
Inp 1168.00 NIST
Inp 1160.00 NIST
I [1610.00; 1676.00]   Show Hide
I 1676.00 NIST
I 1616.00 NIST
I 1667.00 NIST
I 1646.00 NIST
I 1637.00 NIST
I 1666.00 NIST
I 1610.00 NIST
I 1656.00 NIST
I 1614.00 NIST
I 1657.00 NIST
I 1657.00 NIST
I 1658.00 NIST
I 1658.00 NIST
Tboil 513.44 K Joback Calculated Property
Tc 736.91 K Joback Calculated Property
Tfus 328.74 K Joback Calculated Property
Vc 0.494 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [306.56; 387.15] J/mol×K [513.44; 736.91] Show Hide
Cp,gas 306.56 J/mol×K 513.44 Joback Calculated Property
Cp,gas 322.25 J/mol×K 550.69 Joback Calculated Property
Cp,gas 336.84 J/mol×K 587.93 Joback Calculated Property
Cp,gas 350.48 J/mol×K 625.18 Joback Calculated Property
Cp,gas 363.32 J/mol×K 662.42 Joback Calculated Property
Cp,gas 375.49 J/mol×K 699.67 Joback Calculated Property
Cp,gas 387.15 J/mol×K 736.91 Joback Calculated Property

Similar Compounds

3«alpha»-5-Cyclo-ergosta-7,22-dien-6-one. 10-epi-Acor-3-en-5-one. 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»)-. (E)-sesquithujen-12-al. «alpha»-Thujenal. «alpha»-Longipinen-2-one (Vulgarone B). Mustakone. Longiverbenone. 8-Isopropyl-1,5-dimethyltricyclo[4.4.0.02,7]dec-4-en-3-one. Androst-4-ene-3,11,17-trione. Silphiperfol-5-en-3-one A. Silphiperfol-5-en-3-one B. Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-, (1S)-. Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-. D-Verbenone.

Find more compounds similar to Bicyclo[3.1.0]hex-3-en-2-one, 4-methyl-1-(1-methylethyl)-.

Sources

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