Chemical Properties of trans-2-Isopropyl-4-t-butylcyclohexanone (CAS 54513-98-3)

trans-2-Isopropyl-4-t-butylcyclohexanone

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InChI
InChI=1S/C13H24O/c1-9(2)11-8-10(13(3,4)5)6-7-12(11)14/h9-11H,6-8H2,1-5H3/t10-,11-/m1/s1
InChI Key
INDSELFFLOGICC-GHMZBOCLSA-N
Formula
C13H24O
SMILES
CC(C)C1CC(C(C)(C)C)CCC1=O
Molecular Weight1
196.33
CAS
54513-98-3
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Physical Properties

Property Value Unit Source
Δf -46.87 kJ/mol Joback Calculated Property
Δfgas -429.40 kJ/mol Joback Calculated Property
Δfus 10.90 kJ/mol Joback Calculated Property
Δvap 47.22 kJ/mol Joback Calculated Property
log10WS -3.47 Crippen Calculated Property
logPoct/wat 3.674 Crippen Calculated Property
McVol 184.740 ml/mol McGowan Calculated Property
Pc 2007.30 kPa Joback Calculated Property
Tboil 575.87 K Joback Calculated Property
Tc 796.38 K Joback Calculated Property
Tfus 295.05 K Joback Calculated Property
Vc 0.685 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [492.77; 611.47] J/mol×K [575.87; 796.38] Show Hide
Cp,gas 492.77 J/mol×K 575.87 Joback Calculated Property
Cp,gas 515.76 J/mol×K 612.62 Joback Calculated Property
Cp,gas 537.43 J/mol×K 649.37 Joback Calculated Property
Cp,gas 557.82 J/mol×K 686.13 Joback Calculated Property
Cp,gas 576.94 J/mol×K 722.88 Joback Calculated Property
Cp,gas 594.81 J/mol×K 759.63 Joback Calculated Property
Cp,gas 611.47 J/mol×K 796.38 Joback Calculated Property

Similar Compounds

Cyclohexanone, 4-(1,1-dimethylethyl)-2-(1-methylethyl)-, cis-. trans-2-Ethyl-4-tert-butylcyclohexanone. Cyclohexanone, 4-(1,1-dimethylethyl)-2-ethyl-, cis-. trans-2,4-Di-t-butylcyclohexanone. Cyclohexanone, 2,4-bis(1,1-dimethylethyl)-, cis-. Cyclohexane, 1-hexylcarbonyl-4-(1,1-dimethylethyl), # 2. Cyclohexane, 1-hexylcarbonyl-4-(1,1-dimethylethyl), # 1. Cholestan-6-one, (5«alpha»)-. 22-Ketocholest-3-one. 4,8-Dimethylbicyclo[3.3.1]nonane-2,6-dione. Bisabol-1-one. Cyclohexanone, 5-methyl-2-(1-methylethyl)-, cis-. Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2S-cis)-. Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R-cis)-. Cyclohexanone, 2-ethyl-3-methyl-, trans-.

Find more compounds similar to trans-2-Isopropyl-4-t-butylcyclohexanone.

Sources

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