Chemical Properties of 3-Carene, 2-acetyl-

3-Carene, 2-acetyl-

InChI
InChI=1S/C12H18O/c1-7-5-6-9-11(12(9,3)4)10(7)8(2)13/h5,9-11H,6H2,1-4H3
InChI Key
XCBVDXSSPNIVAO-UHFFFAOYSA-N
Formula
C12H18O
SMILES
CC(=O)C1C(C)=CCC2C1C2(C)C
Molecular Weight1
178.27
Other Names
  • 1-(4,7,7-Trimethylbicyclo[4.1.0]hept-4-enyl)ethanone (2-Acetylcarene)
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Physical Properties

Property Value Unit Source
ω 0.3497 Relay (1.0) Calculated Property
ΔfG° 30.06 kJ/mol Joback Calculated Property
ΔfH°gas -170.01 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 19.28 kJ/mol Joback Calculated Property
ΔvapH° 60.84 kJ/mol Relay (1.0) Calculated Property
IE 8.37 eV Relay (1.0) Calculated Property
log10WS -3.24 Relay (1.0) Calculated Property
logPoct/wat 2.814 Crippen Calculated Property
McVol 155.490 ml/mol McGowan Calculated Property
Pc 2445.89 kPa Joback Calculated Property
I 1159.00 NIST
Tboil 499.58 K Relay (1.0) Calculated Property
Tc 733.20 K Relay (1.0) Calculated Property
Tfus 295.40 K Relay (1.0) Calculated Property
Vc 0.515 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [393.08; 486.29] J/mol×K [540.62; 753.26] Show Hide
Cp,gas 393.08 J/mol×K 540.62 Joback Calculated Property
Cp,gas 411.05 J/mol×K 576.06 Joback Calculated Property
Cp,gas 427.87 J/mol×K 611.50 Joback Calculated Property
Cp,gas 443.66 J/mol×K 646.94 Joback Calculated Property
Cp,gas 458.57 J/mol×K 682.38 Joback Calculated Property
Cp,gas 472.74 J/mol×K 717.82 Joback Calculated Property
Cp,gas 486.29 J/mol×K 753.26 Joback Calculated Property

Similar Compounds

(+)-3-Carene, 2-(acetylmethyl)-. Filifolone. 4,7,7-Trimethylbicyclo[3.2.0]hept-3-en-6-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»)-. 4,7-Dimethylbicyclo[3.2.1]oct-3-en-6-one. Bicyclo[3.1.1]hept-2-en-6-one, 2,7,7-trimethyl-. 4-[2,2-Dimethyl-3-(5-methylcyclopenta-1,4-dien-1-yl)-cyclopropyl]-butan- 2-one. 1-H-Indene-1-one-2,4,5,6,7,7a hexahydro-4,4,7a trimethyl. 4,7,7-Trimethylbicyclo[4.1.0]hept-3-en-2-one. «alpha»-Damascone. (+)-Eudesma-3,11-dien-8-one. (+)-(5S,7S,10S)-Eudesma-3,11-dien-8-one. Mustakone. Longiverbenone. «alpha»-Longipinen-2-one (Vulgarone B).

Find more compounds similar to 3-Carene, 2-acetyl-.

Sources

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