Chemical Properties of 4-[2,2-Dimethyl-3-(5-methylcyclopenta-1,4-dien-1-yl)-cyclopropyl]-butan- 2-one

4-[2,2-Dimethyl-3-(5-methylcyclopenta-1,4-dien-1-yl)-cyclopropyl]-butan- 2-one

InChI
InChI=1S/C15H24O/c1-10-6-5-7-12(10)14-13(15(14,3)4)9-8-11(2)16/h6,12-14H,5,7-9H2,1-4H3/t12?,13-,14+/m0/s1
InChI Key
UQXZKPUZCLFORX-KFTPUPIBSA-N
Formula
C15H24O
SMILES
CC(=O)CCC1C(C2CCC=C2C)C1(C)C
Molecular Weight1
220.35
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Physical Properties

Property Value Unit Source
ω 0.4504 Relay (1.0) Calculated Property
ΔfG° 43.22 kJ/mol Joback Calculated Property
ΔfH°gas -245.60 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 24.95 kJ/mol Joback Calculated Property
ΔvapH° 76.14 kJ/mol Relay (1.0) Calculated Property
IE 8.30 eV Relay (1.0) Calculated Property
log10WS -3.94 Relay (1.0) Calculated Property
logPoct/wat 3.984 Crippen Calculated Property
McVol 197.760 ml/mol McGowan Calculated Property
Pc 1915.26 kPa Joback Calculated Property
Inp 1586.00 NIST
Tboil 554.80 K Relay (1.0) Calculated Property
Tc 773.25 K Relay (1.0) Calculated Property
Tfus 279.11 K Relay (1.0) Calculated Property
Vc 0.673 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [547.29; 654.60] J/mol×K [613.53; 822.96] Show Hide
Cp,gas 547.29 J/mol×K 613.53 Joback Calculated Property
Cp,gas 567.51 J/mol×K 648.43 Joback Calculated Property
Cp,gas 586.62 J/mol×K 683.34 Joback Calculated Property
Cp,gas 604.75 J/mol×K 718.24 Joback Calculated Property
Cp,gas 622.04 J/mol×K 753.15 Joback Calculated Property
Cp,gas 638.61 J/mol×K 788.05 Joback Calculated Property
Cp,gas 654.60 J/mol×K 822.96 Joback Calculated Property

Similar Compounds

(+)-3-Carene, 2-(acetylmethyl)-. 1,5-cis-Aromadendr-9-ene. Dehydroaromadendrene. Alloaromadendr-9-ene. Tricyclo[6.3.0.0(2,4)]undec-8-ene, 3,3,7,11-tetramethyl-. 1,1,4,7-Tetramethyl-1a,2,3,4,6,7,7a,7b-octahydro-1H-cyclopropa[e]azulene. «alpha»-Maaliene. 2-Butanone, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-. Cubebene. 6-epi-«alpha»-Cubebene. «alpha»-Cubebene. 7-epi-Sesquithujene. (1R,5R)-2-Methyl-5-((R)-6-methylhept-5-en-2-yl)bicyclo[3.1.0]hex-2-ene. (1S,5S)-2-Methyl-5-((R)-6-methylhept-5-en-2-yl)bicyclo[3.1.0]hex-2-ene. 3-Carene, 2-acetyl-.

Find more compounds similar to 4-[2,2-Dimethyl-3-(5-methylcyclopenta-1,4-dien-1-yl)-cyclopropyl]-butan- 2-one.

Sources

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